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TCNI8

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TCNI8: TCS Ni-based Superalloys Database (Extended Information) Database name: TCS Ni-based Superalloys Database Database acronym: TCNI

Database owner: Thermo-Calc Software AB Database version: 8.1

TCNI is a thermodynamic database for different kinds of Ni-based superalloys for use with Thermo-Calc and the add-on Diffusion Module (DICTRA) and/or Precipitation Module (TC-PRISMA). TCNI contains all the important Ni-based superalloy phases within a 25-element framework + Ar and H for the gas phase only.

Developed using the CALPHAD approach with industry input and support, TCNI is based on the critical evaluation of binary, ternary and in some cases higher order systems which enables predictions to be made for multicomponent systems and alloys of industrial importance. The database has also been validated where possible against higher order systems as well.

All the necessary volume data (including molar volume and thermal expansion) for various alloy phases is incorporated, which allows for the calculation of volume fraction of phases, as well as density, thermal expansivity and lattice parameters, e.g. misfits between γ and γ’, using Thermo-Calc. However, it should be noted that the molar volume data only provides rough estimations and has no pressure dependence.

The TCNI database also contains an extensive GAS mixture phase for the main purpose of considering oxygen/nitrogen-gas controls in alloy making processes, and different gas atmospheres under e.g. heat treatments. Note that argon, Ar, and hydrogen, H, are included in the gas phase only, and there is no solid solubility or condensed phase compounds with these elements included in the TCNI8 database.

TCNI includes critically assessed thermodynamic descriptions for 27 elements and 534 phases. Most of the binary systems in this database have been assessed and can be calculated with the BINARY module in Thermo-Calc. TCNI also contains many assessed ternary systems, at least those being in equilibrium with γ and γ’ phase, and can be calculated with the TERNARY Module in Thermo-Calc.

These 27 elements are included:

Al Ar B C Co Cr Cu Fe H Hf

Mn Mo N Nb Ni O Pd Pt Re Ru

Si Ta Ti V W Y Zr

Ordered and disordered bcc (A2 and B2/β) and fcc (A1 and L12/γ´) phases are modeled with a two sub-lattice model using a single Gibbs energy curve which enables order/disorder transformations to be modeled.

All possible binary systems and most Ni-containing ternary systems have been assessed to the full range of composition.

TCP phases are modeled using more complex and physically correct models, which gives the ability to correctly predict site-fractions etc.

Oxygen has been implemented in an ambitious way using the Compound Energy Formalism (CEF) [1] for the solution phases, e.g. spinel, halite, corundum etc., and the ionic two-sublattice model [2][3] for the metallic and ionized liquid.

Molar volume data critically assessed for most phases of importance to Ni-based Superalloys.

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Only the phases of interest for superalloys are defined by default, which means that when retrieving the data from the database other phases will automatically be rejected and would need to be manually restored by the user if these are required for a calculation. The complete description of all the binary systems and many ternary systems are available using the BINARY and TERNARY modules in Thermo-Calc. Note that there are several possible composition sets for the phases named FCC_L12 and BCC_B2; they are either disordered (A1/carbonitride and A2) or ordered (L12 (γ’) and B2 (β)).

The complete list of phases is given at the end of this document. First there is a list of all phases defined by default and then a detailed description of all phases, e.g. number of sub lattices and elements on each sub lattice and if available also structure, Pearson symbol and Structur Bericht.

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Assessed Binary Systems in Full Range of Composition and Temperature

Al B C Co Cr Cu Fe Hf Mn Mo N Nb Ni O Pd Pt Re Ru Si Ta Ti V W Y

B x

C x x

Co x x x

Cr x x x x

Cu x x x x x

Fe x x x x x x

Hf x x x x x x x

Mn x x x x x x x x

Mo x x x x x x x x x

N x x x x x x x x

Nb x x x x x x x x x x x

Ni x x x x x x x x x x x x

O x x x x x x x x x x x x x

Pd x x x x x x x x x x x x x

Pt x x x x x x x x x x x x x x

Re x x x x x x x x x x x x x x x

Ru x x x x x x x x x x x x x x x x

Si x x x x x x x x x x x x x x x x x x

Ta x x x x x x x x x x x x x x x x x x x

Ti x x x x x x x x x x x x x x x x x x x x

V x x x x x x x x x x x x x x x x x x x x x

W x x x x x x x x x x x x x x x x x x x x x

Y x x x x x x x x x x x x x x x x x x x x x x

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Zr x x x x x x x x x x x x x x x x x x x x x x x x

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Assessed Ternary Systems in Full Range of Composition and Temperature

Al-B-Co

Al-B-Cr

Al-B-Hf

Al-B-Mo

Al-B-Ni

Al-B-Re

Al-B-Ti

Al-B-Zr

Al-C-Cr

Al-C-Hf

Al-C-Mo

Al-C-Ni

Al-C-Ta

Al-C-Ti

Al-C-W

Al-C-Zr

Al-Co-Cr

Al-Co-Fe

Al-Co-Hf

Al-Co-Mo

Al-Co-Ni

Al-Co-O

Al-Co-Ta

Al-Co-Ti

Al-Co-W

Al-Co-Zr

Al-Cr-Hf

Al-Cr-Ni

Al-Cr-O

Al-Cr-Pt

Al-Cr-Ta

Al-Cr-Ti

Al-Cr-Zr

Al-Cu-Fe

Al-Cu-Mn

Al-Cu-Ni

Al-Cu-Si

Al-Fe-Mn

Al-Fe-Mo

Al-Fe-Ni

Al-Fe-O

Al-Fe-Ti

Al-Hf-Mo

Al-Hf-Ni

Al-Hf-O

Al-Hf-Re

Al-Hf-Ta

Al-Hf-Ti

Al-Hf-W

Al-Hf-Zr

Al-Mn-Ni

Al-Mn-O

Al-Mn-Si

Al-Mn-Ti

Al-Mo-Ni

Al-Mo-Re

Al-Nb-Ni

Al-Nb-O

Al-Nb-Si

Al-Ni-O

Al-Ni-Pd

Al-Ni-Pt

Al-Ni-Re

Al-Ni-Ru

Al-Ni-Si

Al-Ni-Ta

Al-Ni-Ti

Al-Ni-V

Al-Ni-W

Al-Ni-Zr

Al-O-Si

Al-O-Ti

Al-O-Y

Al-O-Zr

Al-Ru-Ti

Al-Ta-Ti

B-Co-Cr

B-Co-Hf

B-Co-Mo

B-Co-Ni

B-Co-Re

B-Co-Ta

B-Co-Ti

B-Co-W

B-Cr-Ni

B-Cr-Re

B-Fe-Nb

B-Hf-Nb

B-Hf-Ni

B-Hf-Re

B-Hf-Ta

B-Mo-Nb

B-Mo-Ni

B-Mo-Re

B-Nb-Re

B-Ni-Re

B-Ni-Ta

B-Re-Ta

B-Re-Ti

B-Re-W

B-Re-Zr

C-Co-Cr

C-Co-Mo

C-Co-Ti

C-Co-W

C-Co-Zr

C-Cr-Hf

C-Cr-Mo

C-Cr-Ni

C-Cr-Re

C-Cr-Ta

C-Cr-Ti

C-Cr-W

C-Cr-Zr

C-Cu-Fe

C-Fe-Mn

C-Fe-O

C-Hf-Mo

C-Hf-Ni

C-Hf-Re

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C-Hf-Ta

C-Hf-Ti

C-Hf-W

C-Hf-Zr

C-Mo-Ni

C-Mo-Ta

C-Mo-Ti

C-Mo-W

C-Mo-Zr

C-N-Ta

C-Nb-Re

C-Nb-W

C-Ni-Ti

C-Ni-W

C-Ni-Zr

C-Re-Ta

C-Re-W

C-Ta-Ti

C-Ta-W

C-Ta-Zr

C-Ti-W

C-Ti-Zr

C-W-Zr

Co-Cr-Cu

Co-Cr-Mo

Co-Cr-Nb

Co-Cr-Ni

Co-Cr-O

Co-Cr-Re

Co-Cr-Ti

Co-Cr-W

Co-Cu-Fe

Co-Cu-Mn

Co-Cu-Nb

Co-Cu-Ni

Co-Cu-Ti

Co-Fe-Nb

Co-Fe-O

Co-Fe-Ti

Co-Hf-W

Co-Mn-O

Co-Mo-Ta

Co-Mo-W

Co-Ni-O

Co-Ni-Re

Co-Ni-Ru

Co-Ni-Ta

Co-Ni-W

Co-O-Si

Co-O-W

Co-Re-W

Co-Ta-W

Co-Ti-W

Co-Ti-Zr

Co-W-Zr

Cr-Cu-Fe

Cr-Cu-Nb

Cr-Cu-Ni

Cr-Cu-Si

Cr-Fe-Mo

Cr-Fe-N

Cr-Fe-Ni

Cr-Fe-O

Cr-Fe-Si

Cr-Fe-W

Cr-Hf-Nb

Cr-Mn-N

Cr-Mn-O

Cr-Mo-Ni

Cr-Nb-Ni

Cr-Nb-Si

Cr-Ni-O

Cr-Ni-Re

Cr-Ni-Ru

Cr-Ni-Si

Cr-Ni-Ta

Cr-Ni-Ti

Cr-Ni-W

Cr-Ni-Zr

Cr-O-Si

Cr-O-Y

Cr-O-Zr

Cr-W-Zr

Cu-Fe-Mn

Cu-Fe-Mo

Cu-Fe-N

Cu-Fe-Nb

Cu-Fe-Ni

Cu-Fe-Si

Cu-Fe-Ti

Cu-Fe-V

Cu-Mn-Ni

Cu-Mn-Si

Cu-Mo-Ni

Cu-Ni-Si

Cu-Ni-Ti

Cu-Ti-Zr

Fe-Mn-N

Fe-Mn-Ni

Fe-Mn-O

Fe-Mn-Si

Fe-Mo-Ni

Fe-Mo-W

Fe-Nb-Ni

Fe-Nb-Zr

Fe-Ni-O

Fe-Ni-W

Fe-O-Si

Fe-O-W

Fe-O-Y

Fe-O-Zr

Hf-Mo-Ni

Hf-Nb-Si

Hf-Ni-Ta

Hf-O-Si

Mn-Ni-O

Mn-O-Si

Mn-O-W

Mn-O-Y

Mn-O-Zr

Mo-Nb-Ni

Mo-Ni-O

Mo-Ni-Re

Mo-Ni-Ta

Mo-Ni-Ti

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Mo-Ni-W

Mo-Re-Ta

Nb-Ni-Ti

Nb-Ni-W

Nb-O-Si

Nb-Re-Ta

Nb-Re-W

Ni-O-Si

Ni-O-W

Ni-O-Y

Ni-O-Zr

Ni-Re-Ta

Ni-Re-Ti

Ni-Re-W

Ni-Re-Zr

Ni-Ru-Ti

Ni-Ta-W

Ni-W-Zr

O-Si-Ti

O-Si-Y

O-Si-Zr

O-Y-Zr

Re-Ta-W

Re-Ta-Zr

Re-W-Zr

Ta-W-Zr

Ti-W-Zr

Example Calculations Using TCNI

Figure 1. Phase diagrams calculated for Al-Fe [4] and Al-Ni [5].

Figure 2. Isothermal sections of Al-Cr-Ni [6] and Ni-Re-W [7] calculated at 1273 K.

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Figure 3. Isothermal sections of Co-Cr-Mo [8] and Mo-Ni-Re [9] calculated at 1273 K.

Figure 4. Section ZrO2-Y2O3 compared with experimental information[10][11][12].

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Figure 5. Predicted amount of phases (metastable calculation) at varying temperatures for a Ni-18Cr-18Fe-3Mo-0.5Al-1Ti-5.3Nb-0.02C (wt. %) alloy. Experimental γ’’ (BCT_D022) solvus temperature [14]is close to 900 ºC and the γ’+ γ’’ fraction is between 15-20 %.

Figure 6. Predicted amount of phases at varying temperatures for a Ni-18Cr-10Fe-9Co-2.8Mo-1.5Al-0.7Ti-5.3Nb-0.02C (wt. %) alloy. Experimental γ’ solvus temperature [15] is close to 950 ºC and delta (NI3TA_D0A) solvus close to 1010 ºC. The delta phase fraction was measured around 8% and γ’ fraction around 20% at 760 ºC after 500 hr heat treatment.

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Figure 7. Predicted amount of phases at varying temperatures for a Ni-11.5Cr-15.5Co-6.5Mo-4.3Al-4.3Ti-0.5Hf (wt. %) alloy. Experimental γ’ solvus temperature [13] is close to 1150 ºC and both σ and µ phases were observed at 760 ºC after 1000 hr heat treatment.

Table 1. Predicted compositions of γ and γ’ as well as the fraction in two Ni-base alloys compared with measurements (in brackets) from Sudbrack et al.[16].

at.% Ni Al Cr W Experimental γ ’ fraction

Predicted γ’ fraction

Ni-9.8Al-8.3Cr γ 82.9 (82.7)

8.51 (8.43)

8.61 (8.86) -

Ni-9.8Al-8.3Cr γ’ 76.7 (76.6)

16.7 (17.4)

6.63 (5.99) - 18.9 15.8

Ni-9.7Al-8.5Cr-2W γ 81.4 (81.8)

6.75 (6.23)

9.51 (10.48) 2.35 (1.54)

Ni-9.7Al-8.5Cr-2W γ’ 76.2 (76.2)

16.4 (16.9)

6.19 (3.94) 1.21 (3.00) 30.8 30.5

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Figure 8. Predicted densities of liquid Ni-Cr-Al-Mo alloys where the molar ratio of Ni:Cr:Al is close to the average value for commercial superalloys INCO713, CM247LC and CMSX-4. Symbols are the experimental values from Fang et al.[17].

Figure 9. Predicted lattice parameters of disordered FCC of Inconel-600 at varying temperatures compared to X-ray diffraction values by Raju et al. [18]. At low temperature the calculation gives, besides the disordered FCC, also an ordered L12 phase, which causes the kink in the curve.

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Figure 10. Predicted γ /γ’ lattice mismatch of a Ni-0.6Mo-0.92Ta-12.5Al-1.83Ti-10.5Cr-3.3W (at. %) compared to an experimental determination by Nathal et al. [19].

Acknowledgement

Dr Nathalie Dupin and Prof Bo Sundman are acknowledged for many valuable discussions and important contributions.

References

[1] Hillert, M. (2001). The compound energy formalism. Journal of Alloys and Compounds, 320(2), 161–176.

[2] Hillert, M., Jansson, B., Sundman, B., & Ågren, J. (1985). A two-sublattice model for molten solutions with different tendency for ionization. Metallurgical Transactions A, 16(1), 261–266.

[3] Sundman, B. (1991). Modification of the two-sublattice model for liquids. Calphad, 15(2), 109–119.

[4] M Seiersten, Sintef report STF28F93051 (1993).

[5] Ansara, I., Dupin, N., Lukas, H. L., & Sundman, B. (1997). Thermodynamic assessment of the Al-Ni system. Journal of Alloys and Compounds, 247(1–2), 20–30.

[6] N. Dupin, Private communication, unpublished work.




[10] Noguchi, T., Mizuno, M., & Yamada, T. (1970). The Liquidus Curve of the ZrO2-Y2O3 System as Measured by a Solar Furnace. Bulletin of the Chemical Society of Japan, 43(8), 2614–2616.

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[11] STUBICAN, V. S., HINK, R. C., & RAY, S. P. (1978). Phase Equilibria and Ordering in the System ZrO2-Y2O3. Journal of the American Ceramic Society, 61(1-2), 17–21.

[12] Rouanet, A. (1968). High-temperature solidification and phase diagrams of the ZrO 2–Er 2 O 3, ZrO 2–Y 2 O 3, and ZrO 2–Yb 2 O 3 systems. CR Acad. Sci. Ser. C, 267(23), 1581–1584.

[13] Cui, C. Y., Gu, Y. F., Ping, D. H., & Harada, H. (2009). Microstructural Evolution and Mechanical Properties of a Ni-Based Superalloy, TMW-4. Metallurgical and Materials Transactions A, 40(2), 282–291.

[14] Experimental Data (various sources).

[15] Experimental Data Superalloys (2007).

[16] Sudbrack, C. K., Ziebell, T. D., Noebe, R. D., & Seidman, D. N. (2008). Effects of a tungsten addition on the morphological evolution, spatial correlations and temporal evolution of a model Ni–Al–Cr superalloy. Acta Materialia, 56(3), 448–463.

[17] Fang, L., Wang, Y. F., Xiao, F., Tao, Z. N., & MuKai, K. (2006). Density of liquid NiCrAlMo quarternary alloys measured by a modified sessile drop method. Materials Science and Engineering: B, 132(1-2), 164–169.

[18] Raju, S., Sivasubramanian, K., Divakar, R., Panneerselvam, G., Banerjee, A., Mohandas, E., & Antony, M. . (2004). Thermal expansion studies on Inconel-600® by high temperature X-ray diffraction. Journal of Nuclear Materials, 325(1), 18–25.

[19] Nathal, M. V., Mackay, R. A., & Garlick, R. G. (1985). Temperature dependence of γ-γ’ lattice mismatch in Nickel-base superalloys. Materials Science and Engineering, 75(1-2), 195–205.

Suggested Reference for the Citation of this Database

J. Bratberg, H. Mao, L. Kjellqvist, A. Engström, P. Mason and Q. Chen. “ The development and validation of a new thermodynamic database for Ni-based alloys”, (2012), P. 803-812, Superalloys, eds. E.S. Huron, R.C. Reed, M.C. Hardy, M.J. Mills, R.E. Montero, P.D. Portella and J. Telesman. Proceedings of the International Symposium on Superalloys 2012, Seven Springs, PA, US. http://doi.org/10.1002/9781118516430.ch89.

List of Phases Included in TCNI

Table 2. List of phases defined by default.

LIQUID:L FCC_A1 FCC_L12

BCC_A2 BCC_B2 HCP_A3

CBCC_A12 CUB_A13 DIAMOND_A4

BETA_RHOMBO_B GRAPHITE NI3TI_D024

NI3TA_D0A BCT_D022 C14_LAVES

DIS_MU MU_PHASE DIS_SIG

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SIGMA R_PHASE P_PHASE

CHI_A12 MC_ETA MC_SHP

M23C6 CEMENTITE M12C

M3C2 M6C M7C3

TAU MB_B33 MB2_C32

M3B2 M2B_TETR CU2TI

CUTI3 G_PHASE CU3TI2

CU4TI1 CU4TI3 NI3B_D011

D5A_M3B2 Z_PHASE HALITE:I

CORUNDUM:I SPINEL:I GAS:G

Table 3. List of all phases in TCNI and the thermodynamic model used to describe the phase. Prototype, Pearson symbol and Structur Bericht are given if available. Phases in gray are suspended by default.

Name Prototype Pearson S. Bericht. Thermodynamic model

AF (Al2O3) (Fe2O3)

AF (Al2O3) (Fe2O3)

AL10V cF116 (Al)10 (V)

AL10CU10FE (Fe)(Al,Cu)10(Al)10

AL10FEMN2 (Fe,Mn)3(Al)10

AL10V (Al)10(V)

AL11CR2 Al5Cr mP48 (Al)10 (Al) (Cr)2

AL11CU5MN3 (Al)11(Mn)3(Cu)5

AL11MN4_HT Mn6(Al0.5Mn0.5)25

oP156 (Al,Mn)29 (Mn)10

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AL11MN4_LT Al11Mn4 aP15 (Al)11 (Fe,Mn)4

AL11RE4 Al11Mn4 aP15 (Al)11 (Re)4

AL11TI5 (Al)17 (Ti)8

AL12MN Al12W cI26 (Al)12 (Mn)

AL12W Al12W cI26 (Al)12 (Mo,Re,W)

also Al12Re and Al12Mo

AL13CO4 Al13Co4 (Al)13 (Co)4

oP102 and mC100

AL13CR2 Al45V7 mC104 (Al)13 (Cr)2

AL13FE2MN2 (Fe,Mn)4(Al)13

AL13FE4 Al13Fe4 mS102 (Al,Cu)0.6275 (Fe,Ru)0.235 (Al,Si,VA)0.1375

AL15SI2M4 (Al)14(Fe,Mn)4(Al,Si)5

AL16FEMN3 (Al)4(Fe,Mn)

AL1MN1SI1 (Al)(Mn)(Si)

AL21PD8 Al3Ni2 hP5 D519 (Al)21 (Pd)8

AL21PT5 (Al)0.8077 (Pt)0.1923

AL21PT8 tI116 (Al)0.7241 (Pt)0.2759

AL23CUFE4 (Al)23(Cu)(Fe)4

AL23V4 Al23V4 hP54 (Al)23 (V)4

AL28CU4MN7 (Al)28(Mn)7(Cu)4

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AL2FE (Al)2 (Fe)

AL2MN2SI3 (Al)2(Mn)2(Si)3

AL2MNSI3 (Al)2(Mn)(Si)3

AL2N2TI3 (Al)2 (N)2 (Ti)3

AL2PD5 Ga2Pd5 oP28 (Al)2 (Al,Pd)5

AL2PT CaF2 cF12 C1 (Al)0.66667 (Pt)0.33333

AL2TI Ga2Hf tI24 (Al)2 (Ti)

AL2W (Al)2 (W)

AL2ZR3 Al2Zr3 tP20 (Al)2 (Hf,Y,Zr)3

also Al2Hf3

AL31MN6NI2 (Al)31(Mn)6(Ni)2

AL3CO (Al)3 (Co)


AL3MNSI4 (Al)4(Mn)(Si)2

AL3NI1 Fe3C oP16 D011 (Al)0.75 (Ni)0.25

AL3NI2 Al3Ni2 hP5 D519 (Al,Si)3 (Al,Cu,Ni,Pt,Ru)2 (Ni,Ru,VA)

AL3NI5 Pt5Ga3 oS16 (Al)0.375 (Ni)0.625

AL3PD (Al)3 (Pd)

AL3PD2 (Al,Pd)3 (Al,Pd)2

AL3PD5 Ge3Rh5 oP16 (Al)3 (Pd)5

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AL3PT2 hP5 (Al)0.6 (Pt)0.4

AL3PT5 Ge3Rh5 oP16 (Al)0.375 (Pt)0.625

AL3Y_HT BaY3 hR36 (Al)0.75(Y)0.25

AL3Y_LT Mg3Cd hP8 (Al)0.75 (Y) 0.25

AL3ZR Al3Zr tI16 D023 (Al)3 (Hf,Zr)

also Al3Hf

AL3ZR2 Al3Zr2 oF40 (Al)3 (Hf,Zr)2

also Al3Hf2

AL3ZR4 Al3Zr4 hP7 (Al)3 (Hf,Zr)4

also Al3Hf4

AL3ZR5 Si3W5 tP32 D8m (Al)3 (Zr)5

AL4C3 Al4Cr3 hR7 D71 (Al,Si)4 (C)3

AL4CR Mn55Al226.58 hP574 (Al)4 (Cr)

AL4MN_R Mn52(Mn0.1Al0.9

)14Al218 hP586 (Al)461 (Fe,Mn)107

AL4MN_U Mn55Al226.58 hP574 (Al)4 (Mn)

AL4PD Al4Pt hP* (Al)4 (Pd)

AL4RE aP40 (Al)4 (Re)

AL4SIC4 (Al)4 (Si) (C)4

AL4W Al4W mC30 (Al)4 (Mo,W)

TCNI8


also Al4Mo

AL4ZR5 Ga4Ti5 hP18 (Al)4 (Zr)5

AL5CO2_D811 Al5Co2 hP28 D811 (Al)5 (Co)2

AL5FE2 (Al,Cu)5 (Fe,Mn)2

AL5FE4 (Al,Cu,Fe)


AL5W Al5W hP12 (Al)5 (Mo,W)

also Al5Mo

AL62CU25FE13 (Fe)0.12(Al,Cu)0.26(Al)0.62

AL63MO37 (Al)63 (Mo)37

AL6MN MnAl6 oS28 (Al)6 (Fe,Mn,Re,Ru)

AL77W23 (Al)77 (W)23

AL7CU2FE (Fe,Ni)1(Cu)2(Al)7

AL7CU4NI (Al)(Cu,Fe,Ni,VA)

AL7V (Al)7 (V)

AL7W3 (Al)7 (W)3

AL8CR5_H Cu5Zn8 cI52 (Al)8 (Cr)5

AL8CR5_L Al8Cr5 hR26 D810 (Al)8 (Cr)5

AL8MN5 Cr4.5(Cr0.56Al0.44)9Al12

hR78 (Al,Ti)12 (Mn)5 (Al,Mn,Si)9

TCNI8


AL8MO3 Al8Cr5 mS22 (Al)8 (Mo)3

AL8SIC7 (Al)8 (Si) (C)7

AL8V5 (Al)8 (V)5

AL9CO2 Al9Co2 mP22 (Al)9 (Co)2

AL9CR4_H (Al)9 (Cr)4

AL9CR4_L Al9Cr4 cI52 (Al)9 (Cr)4

ALB12_ALPHA AlB12-α tP213 (Al) (B)12

ALBMO BCU oC12 (Al) (B) (Mo)

ALCCR2 AlCCr2 hP8 (Al) (C) (Cr)2

ALCR2 MoSi2 tI6 (Al) (Cr)2

ALCR2B2 (Al) (Cr)2 (B)2

ALCR3B4 Cr3AlB4 oP8 (Al) (Cr)3(B)4

ALCU3MN2 (Al)(MN)2(Cu)3

ALCU_DEL (Al)2 (Cu, Fe)3

ALCU_EPS Co1.7Ge hP6 (Al, Cu, Ni) (Cu, Fe)

ALCU_ETA AlCu mS20 (Al, Cu) (Cu, Fe, Ni)

ALCU_PRIME (Al)2(Cu)

ALCU_ZETA Al11.2Cu8.88 oF88 (Al)9 (Cu,Fe)11

ALFESI_ALPHA (Al)0.6612 (Fe)0.19 (Si)0.0496 (Al,Si)0.0992

ALFESI_BETA (Al)14 (Fe)3 (Si)3

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ALFESI_DELTA (Al)0.55 (Fe)0.15 (Si)0.3

ALFESI_GAMMA (Al)3 (Fe) (Si)

ALFESI_TAU1 (Al)2 (Fe)2 (Si)

ALFESI_TAU3 (Al)2 (Fe) (Si)

ALM3C_E21 CaTiO3 cP5 E21 (Al) (Co,Fe)3 (C)

AlCo3C, AlFe3C

ALMNSI_T6 (Al,Mn)4(Si)

ALMNSI_T8 (Mn,VA)6(Mn,VA)2(AL)12(Al,Si)6(Al,Si)2

ALMO W cI2 A2 (Al,Mo) (Al,Mo)

ALNTI2 AlCCr2 hP8 (Al) (N) (Ti)2

ALNTI3 CaTiO3 cP5 E21 (Al) (N) (Ti)3

ALN_B4 (Al) (N)

ALPD2 Co2Si oP12 C23 (Al,Ni,Pd) (Al,Ni,Pd)2

ALPHA_B19 AuCd oP4 B19 (Mo,Nb,Pd,Pt,Ti,V,Zr) (Mo,Nb,Pd,Pt,Ti,V,Zr)

ordered HCP

ALPHA_PD2SI (Pd,Si)2 (Si)

ALPHA_PT17SI8 (Pt)17 (Si)8

ALPHA_PT2SI ThH2 tI6 L'2b (Pt)2 (Si)

ALPHA_PT3SI GePt3 mC16 (Pt)3 (Si)

TCNI8


ALPHA_SPINEL Mn3O4 tI28 (Co+2,Mn+2,Mn+3,Ni+2) (Al+3,Cr+3,Fe+3,Mn+2,Mn+3,VA)2 (Mn+2,VA)2(O-

2)4

ALPT FeSi cP8 B20 (Al)0.5 (Pt)0.5

ALPT2 PbCl2 oP12 C23 (Al)0.33333 (Pt)0.66667

ALRE (Al) (Re)

ALRE2 CuZr2 tI6 (Al) (Re)2

ALTI3_D019 Ni3Sn hP8 D019 (Al,Co,Cr,Mo,Ni,Pt,Ta,Ti,W)3 (Al,Cr,Mo,Nb,Ni,Pt,Ta,Ti,W)

ALTI_L10 AuCu tP2 L10 (Al,Cr,Mn,Mo,Ta,Ti,W) (Al,Cr,Mn,Mo,Ta,Ti,W)

ALZR TlI oS8 (Al) (Hf,Y,Zr)

ALZR2 Ni2In hP6 B82 (Al) (Y,Zr)2

ANDALUSITE (Al+3) (Al+3) (Si+4) (O-2)5

High pressure phase

B11 γ-CuTi tP4 B11 (Co,Cu,Ni,Pd,Ti) (Cu,Ni,Ta,Ti)

B12ZR UB12 cF52 D2f (B)12 (Y, Zr)

B2O3 (B2O3)

B2PD5 Mn5C2 mC28 (B)2 (Pd)5

B2PT3 (B)2 (Pt)3

B3SI B4C hR15 D1g (B)6 (Si)2 (B,Si)6

B4C B4C hR15 D1g (B11C,B12) (B2,C2B,CB2)

TCNI8


B4TA3_D7B Ta3B4 oI14 D7b (B)4 (Cr,Hf,Nb,Mn,Ta,Ti,V)3

also Cr3B4, Nb3B4, Mn3B4, Ti3B4, V3B4

B5W2_X Mo2B5 hR21 D8i (B,C,VA)5 (W)2

B6SI B6Si oP280 (B)10 (Si)23 (B,Si)48

B9W2 BW4 hP20 (B)9 (W)2

BCC_A2 W cI2 A2 (Al,Co,Cr,Cu,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta,Ti,V,W,Y,Zr,VA) (B,C,N,O,VA)3

This phase appears only when the user has rejected its ordering contribution BCC_B2.

BCC_B2 W cI2 A2 (Al,Co,Cr,Cu,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta,Ti,V,W,Y,Zr,VA)0.5 (Al,Co,Cr,Cu,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta,Ti,V,W,Y,Zr,VA)0.5 (B,C,N,O,VA)3

The non-configurational contribution, BCC_A2, should not be rejected when this phase is kept.

BCC_B2_2 CsCl cP2 B2 (Al,Co,Cr,Cu,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta,Ti,V,W,Y,Zr,VA)0.5 (Al,Co,Cr,Cu,Fe,Hf,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta,Ti,V,W,Y,Zr,VA)0.5 (B,C,N,O,VA)3

The non-configurational contribution, BCC_A2, should not be rejected when this phase is kept.

BCT_D022 Al3Ti tI8 D022 (Al,Cr,Fe,Mo,Ni,Pd,Pt,Ti,V)3 (Al,Cr,Mo,Nb,Ni,Pd,Pt,Ta,Ti,V,Si)

γ'', Al3Nb, Al3Ta, Al3Ti, Al3V, Ni3V

BETA_PD2SI Fe2P hP9 C22 (Pd,Si)2 (Si)

BETA_PT17SI8 (Pt)17 (Si)8

BETA_PT2SI Fe2P hP9 C22 (Pt)2 (Si)

TCNI8


BETA_PT3SI Fe3C oP16 D011 (Pt)3 (Si)

BETA_RHOMBO_B

B hR105 (B)93 (B,C,Cu,Si)12

BM FeB-β oP8 B27 (B,Pt) (Cr,Fe,Hf,Mn,Mo,Ti,Y)

also TiB, HfB, MnB, PtY

BNSI B hR12 (B)61 (Si) (B,Si)8

BN_B4 ZnS hP4 B4 (B) (N)

BPD3 Fe3C oP16 D011 (B) (Pd)3

BPD5 (B) (Pd)5

BPD6 (B) (Pd)6

BPT2 MoS2 hP6 C7 (B) (Pt)2

BPT3 (B) (Pt)3

BW_ALPHA MoB tI16 Bg (B,C,VA) (W)

BW_BETA BCr oC8 B33 (B,C,VA) (W)

C14_LAVES MgZn2 hP12 C14 (Al,Co,Cr,Cu,Fe,Hf,Mn,Mo,Nb,Ni,Si,Re,Ru,Ta,Ti,W,Y,Zr)2 (Al,Co,Cr,Cu,Fe,Hf,Mn,Mo,Nb,Ni,Si,Re,Ru,Ta,Ti,W,Y,Zr)

Al2Hf, Al2Zr, Co2Ta, Cr2Hf, Cr2Ta, Cr2Ti, Cr2Zr, Re2Hf, Mn2Ta, Mn2Ti, Mn2Zr, Re2Y, Re2Zr

C15_LAVES MgCu2 cF8 C15 (Al,Co,Cr,Fe,Hf,Mo,Nb,Ni,Si,Re,Ru,Ta,Ti,V,W,Y,Zr)2 (Al,Co,Cr,Fe,Hf,Mo,Nb,Ni,Si,Re,Ru,Ta,Ti,V,W,Y,Zr)

Co2Hf, Co2Ta, Co2Ti, Co2Y, Co2Zr, Cr2Hf, Cr2Ta, Cr2Ti, Cr2Zr, Mn2Y, Mo2Hf, W2Hf, Mo2Zr, V2Zr, W2Zr

TCNI8


C16_THETA CuAl2 tI12 C16 (Al,Hf,Mo,Nb,Ta,Ti,W,Zr)2 (Al,Co,Cr,Cu,Fe,Ni,Si)

AlHf2, CoTa2, CoZr2, FeZr2, NiHf2, NiTa2, NiZr2, SiHf2, SiTa2, SiZr2

C36_LAVES MgNi2 hP24 C36 (Al,Co,Cr,Cu,Fe,Hf,Mo,Nb,Ni,Ta,Ti,W,Zr)2 (Al,Co,Cr,Cu,Fe,Hf,Mo,Nb,Ni,Ta,Ti,W,Zr)

Co2Ta, Co2Ti, Cr2Zr, Mo2Hf

CBCC_A12 Mn cI58 A12 (Al,Co,Cr,Cu,Fe,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta,Ti,V,W,Y,Zr)1(B,C,VA)1

CEMENTITE Fe3C oP16 D011 (Co,Cr,Fe,Mn,Mo,Ni,V,W)3 (C,N)

CFC2_FENBZR (Fe,Nb,Zr)2 (Nb,Zr) (Nb,Zr)3

CHI_A12 α-Mn cI58 A12 (Cr,Fe,Ni,Re)24 (Al,Cr,Hf,Mo,Nb,Ta,Ti,W,Zr)10 (Cr,Fe,Mo,Nb,Ni,Re,Ta,W)24

Hf5Re24, Mo2Re8, Ta3Re7, Ti5Re24, WRe3, Zr5Re24

CO10CU57TI33 (Co)0.1(Cu)0.57(Ti)0.33

CO11ZR2 oP* (Co)11 (Zr)2

CO17Y2 Zn17Th2 hR57 (Co2,Y)(Co2,Y)2(Co)15

CO2SI_C23 Co2Si-α oP12 C23 (Co,Cr,Cu,Fe,Ni,Ti)2 (Si)

also Ni2Si-δ

CO3AL2B5 (Co)3 (Al)2 (B)5

CO3SI (Co)3 (Si)

CO3VV (Co,V)3 (Co,V)

CO3Y2 cP* (Co)3 (Y)2

TCNI8


CO3Y4 Ho6Co4.5 hP22 (Co)3 (Y)4

CO3Y CaCu3 hP6 (Co)3 (Y)

CO5Y8 Co5Y8 mP52 (Co)5 (Y)8

CO5Y_D2D CaCu5 hP6 (Co2 Y) (Co)4 (Co VA)

CO7HF tP32 (Co)7 (Hf)

CO7M2 tP32 (Co)7 (Nb,Ta)2

Co7Nb2, Co7Ta2

CO7Y6 (Co)7 (Y)6

COB FeB oP8 B27 (Co,Re) (B)

CORUNDUM Al2O3 hR10 D51 (Al+3,Cr+2,Cr+3,Fe+2,Fe+3,Mn+3,Ti+3,V+3)2 (Cr+3,Fe+3,Ni+2,VA) (O-2)3

COY_BF TlI o58 (Co) (Y)

CR2B_ORTH Mn4B oF40 D1f (Cr,Fe,Mo,Re)0.66666667 (B)0.33333333

CR2NI2SI W3Fe3C (Cr)5 (Ni)5 (Si)3

CR3MN5 (Cr)3 (Mn)5

CR3RU (Cr)3 (Ru)

CR3NI5SI2 (Cr)3 (Ni)5 (Si)2 (C,VA)

CR3SI_A15 Cr3Si cP8 A15 (Cr,Fe,Mo,Nb,Ni,Pd,Pt,Re,Si,Ta,Ti,V)3 (Al,Co,Cr,Mo,Nb,Ni,Pd,Pt,Ru,Si,Ta,Ti,V) (C,VA)3

CR5B3 Cr5B3 tI32 D8l (Cr,Mo)0.625 (B)0.375

CRB4 CrB4 oI10 (Cr)0.2 (B)0.8

TCNI8


CRISTOBALITE SiO2 cF24 C9 (SiO2)

CRNBSI Fe2P hP9 (Cr) (Nb) (Si)

CRNI2_OP6 (Cr,Mo,W) (Cr,Mo,W)2

CRSI2_C40 CrSi2 hP9 C40 (Cr,Hf,Mo,Nb,Si,Ta,V) (Al,Cr,Si)2

aussi NbSi2, TaSi2, VSi2

CU10HF7 Ni10Zr7 o568 (Cu)10 (Hf)7

CU10ZR7 Ni10Zr7 o568 (Cu)10 (Zr)7

CU15SI4_EPSILON Cu15Si4 cI76 (Cu,Mn)0.789474 (Al,Si)0.210526

CU2TI Au2V oS12 (Co,Cu,Ni)2 (Ti)1

CU2TIZR (Cu)0.5(Ti)0.5(Zr)0.25

CU2Y_L Hg2K oI12 (Cu)2 (Y)1

CU2Y_H (Cu)2 (Y)1

CU33SI7_DELTA * tP* (Cu)0.825 (Si)0.175

CU3TI2 Cu3Ti2 tP10 (Cu,Fe,Ni)3 (Co,Ti)2

CU46NI25SI29 (Cu)0.46(Ni)0.25(Si)0.29

CU4TI1 Au4Zr oP20 (Cu,Ti)4 (Cu,Ti)1

CU4TI3 Cu4Ti3 tI14 (Co,Cu,Ni)4 (Ti)3

CU4Y Cu5Y1.25 mP16 (Cu)4 (Y)1

CU51HF14 Ag51Gd14 hp68 (Cu)51 (Hf)14

CU51ZR14 Ag51Gd14 hp68 (Cu)51 (Zr)14

TCNI8


CU56SI11_GAMMA

Mg3Ru2 cP20 (Cu,Mn,Ni,Si)0.835821 (Si)0.164179

CU5MN4SI (Cu)0.5(Mn)0.37(Si)0.13

CU6NISI3 (Cu,Ni)0.73(Si)0.23

CU7Y1 Cu5.44Tb0.78 hP8 (Cu2,Y)1 (Cu)5

CU7Y2 Ag51Gd14 hP68 (Cu)7 (Y)2

CU8HF3 Cu8Hf3 oP44 (Cu)8 (Hf)3

CU8ZR3 Cu8Hf3 oP44 (Cu)8 (Zr)3

CUPT_L11 CuPt hR6 L11 (Cu,Pt)0.5 (Cu,Pt)0.5(VA)

CUB_A13 Mn cP20 A13 (Al,Co,Cr,Cu,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta,Ti,V,W,Y,Zr)1(C,VA)1

CUO (Cu+2) (O-2)

CUPRITE_C3 C3 (Cu+1)2 (O-2)

CUSI_ETA * oS* (Cu,Mn,Ni)0.76 (Si)0.24

CUTI3 CuTi3 tP4 (Cu,Ti)1 (Ti)3

D0I_MO2B5 Mo2B5 hR21 D8i (Mo)0.32 (B)0.68

D5A_M3B2 Si2U3 tP10 D5a (Fe,Hf,Mo,Nb,Ta,V)3 (B)2

Ta3B2, Nb3B2, V3B2

DIAMOND_A4 C cF8 A4 (Al,B,C,O,Si)

FCC_A1 Cu cF4 A1 (Al,Co,Cr,Cu,Fe,Hf,Mo,Mn,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta,Ti,V,W,Y,Zr) (B,C,N,O,VA)

This phase appears only when FCC_L12 has been rejected by the user.

TCNI8


FCC_L10 AuCu tP4 L10 (Mn,Ni,Pd)0.5 (Mn,Ni,Pd)0.5

FCC_L12 Cu cF4 A1 (Al,Co,Cr,Cu,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta,Ti,V,W,Y,Zr)0.75 (Al,Co,Cr,Cu,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta,Ti,V,W,Y,Zr)0.25 (B,C,N,O,VA)

NOTE: When the global minimisation is used, the number attributed to this phase is given randomly. Only the filling of the different sublattices allow to identify the different crystallographic structures described by this model.

FCC_L12#2 Cu3Au cP4 L12 (Al,Co,Cr,Cu,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta,Ti,V,W,Y,Zr)0.75 (Al,Co,Cr,Cu,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta,Ti,V,W,Y,Zr)0.25 (B,C,N,O,VA)

FCC_L12#3 NaCl cF8 B1 (Al,Co,Cr,Cu,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta,Ti,V,W,Y,Zr)0.75 (Al,Co,Cr,Cu,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta,Ti,V,W,Y,Zr)0.25 (B,C,N,O,VA)

FE2SI (Fe)0.666667 (Si)0.333333

FE4N_LP1 cP5 (Co,Cr,Fe,Mn,Ni)4 (N)

Only stable in Co-N, Fe-N and Cr-Fe-N if the gas is suspended.

FE8SI2C (Fe)8 (Si)2 (C)

FECN_CHI (Fe)2.2 (N)

Only stable in C-Fe-N if gas suspended.

FESI2_H (Fe)0.3 (Si)0.7

FESI2_L (Fe)0.333333 (Si)0.666667

FESI_B20 FeSi cP8 B20 (Co,Cr,Fe,Mn,Ni,Re) (Al,Si)

also CoSi, CrSi, MnSi, ReSi

TCNI8


FEWB (Fe) (W) (B)

FLUORITE_C1 CaF2 cF12 C1 (Al+3,Cr+3,Fe+2,Hf+4,Mn+2,Mn+3,Ni+2,Ti+4,Y+3,Zr,Zr+4)2(O-2,VA)4

GAMMA_D83 Cu9Al4 cP52 D83 (Al, Ni, Si)4 (Al, Cu, Ni, Si)1 (Cu, Fe, Mn, Ni)8

GAMMA_H Cu5Zn8 cI52 (Al)4 (Al, Cu)1 (Cu, Fe, Mn, Ni)8

GAS (Al, AlB2, AlC, AlC2, AlH, AlHO_AlOH, AlHO_HAlO, AlHO2, AlH2, AlH2O2, AlH3, AlH3O3, AlN, AlO, AlO2, Al2, Al2C2, Al2O, Al2O2, Al2O3, Ar, B, B10H14, BC, BC2, BH, BHO_BOH, BHO_HBO, BHO2, BH2, BH2O, BH2O2, BH3, BH3O, BH3O2, BH3O3, BH6N, BN, BO, BO2, B2, B2C, B2H4O4, B2H6B2O, B2O2, B2O3, B3H3O3, B3H3O6, B3H6N3, B5H9 C, CH, CHNO, CHN_HCN, CHN_HNC, CHO, CHO2, CH2CH2N4, CH2O, CH2O2_CIS, CH2O2_DIOXIRANE, CH2O2_TRANS, CH3, CH3O_CH2OH, CH3O_CH3O, CH4, CH4N2O, CH4O, CH5N, CN, CNO, CNO_NCO, CN2_CNN, CN2_NCN, CO, CO2, CPT, CSi, CSi2, CSi3, CSi4,C2, C2H, C2HN, C2H2, C2H2O, C2H3, C2H4, C2H4O_ACETALDEHYDE, C2H4O_OXIRANE, C2H4O2_ACETICACID, C2H4O2_DIOXETANE, C2H4O3_123TRIOXOLANE, C2H4O3_124TRIOXOLANE, C2H5, C2H6, C2H6O, C2H6OSi, C2H6O2, C2H8Si, C2N_CCN, C2N_CNC, C2N2, C2O, C2Si, C2Si2, C2 Si3, C3, C3H, C3HN, C3H4_1, C3H4_2, C3H6O, C3H6_1, C3H6_2, C3H8, C3N, C3O2, C4, C4H, C4H10_1, C4H10_2, C4H12Si, C4H2_1, C4H2_2, C4H4_1, C4H4_2, C4H6_1, C4H6_2, C4H6_3, C4H6_4, C4H6_5, C4H8_1, C4H8_2, C4H8_3, C4H8_4, C4H8_5, C4H8_6, C4N, C4N2, C4NiO4, C5, C5FeO5, C5HN, C5N, C60, C6H6, C6H6O, C6MoO6, C6N, C6N2, C9N, Co, CoH, CoHO, CoH2O2, CoO, Co2, Cr, CrH, CrHO, CrHO2, CrHO3, CrH2O2, CrH2O3, CrH2O4, CrH3O3, CrH3O4, CrH4O4, CrH4O5, CrN, CrO, CrO2, CrO3, Cr2, Cr2O, Cr2O2, Cr2O3, Fe, FeH, FeHO, FeHO2, FeH2O2, FeO, FeO2, Fe2, H, HMn, HMnO, HMoO, HMoO2, HMo3, HN, HNO, HNO2_CIS, HNO2_TRANS, HNO3, HN3, HNi, HNiO, HO, HOW, HO2, HO2W, HPT, HSi, HZr, H2, H2MoO2, H2MoO3, H2MoO4, H2N, H2N2O2, H2N2_1_1N2H2, H2N2_CIS, H2N2_TRANS, H2NiO2, H2O, H2O2, H2O2W, H2O3W, H2O4W, H2Si, H3N, H3NO, H3Si, H4N2, H4Si, H6Si2, Hf, HfO, HfO2, Mn, MnO, Mn2, Mo, MoN, MoO, MoO2, MoO3, Mo2, Mo2O6, Mo3O9, Mo4O2, Mo5O5, N, NNb, NO, NO2, NO3, NSi, NSi2, NTi, NV, NZr, N2, N2O, N2O2, N2O3, N2O4, N2O5, N3, Nb, NbO, NbO2, Ni, NiO, Ni2, O10V4, O2W4, O15W5, OPd, OPt, ORe, ORu, OSi, OTa, OTi, OV, OW, OY, OY2, OZr, O2, O2Pt, O2Re, O2Ru, O2Si, O2Si2, O2Ta, O2Ti, O2V, O2W, O2Y, O2Y2, O2Zr, O3, O3Re, O3Ru, O3W, O4Ru, O6Re2, O6W2, O7Re2, O8W3, O9W3, Pd, Pt, Re, Ru, Si, Si2, Si3, Ta, Ti, Ti2, V, W, Y, Zr, Zr2)

GRAPHITE C hP4 A9 (B,C)

G_PHASE Mn23Th6 cF116 D8a (Al,Co,Fe,Mn,Ni,Ti)16 (Hf,Nb,Ti,Y,Zr)6 (Co,Fe,Mn,Ni,Si)7

HALITE NaCl cF8 B1 (Al+3,Co+2,Co+3,Cr+3,Fe+2,Fe+3,Mn+2,Mn+3,Ni+2,Ni+3,Ti,Ti+2,Ti+3,V,V+2,V+3,VA,Zr+4,Y+3) (O-2,VA)

TCNI8


HCP_A3 Mg hP2 A3 (Al,Co,Cr,Cu,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta,Ti,V,W,Y,Zr) (B,C,N,O,VA)0.5

(α-Ti), (α -Zr), Re

HCP_A3#2 NiAs hP4 B81 (Al,Co,Cr,Cu,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta,Ti,V,W,Y,Zr) (B,C,N,O,VA)0.5

M2C

HF2PD MoSi2 tI6 C11b (Hf)2 (Pd)

HF3NI7 Hf3Ni7 aP20 (Hf)0.3 (Ni)0.7

HF3PD4 (Hf)3 (Pd)4

HF8NI21 Hf8Ni21 a** (Hf,Zr)8 (Ni)21

also Zr8Ni21

HFMN (Hf)0.5 (Mn)0.5

HFNI3_ALPHA BaPb3 hR* (Hf)0.25 (Ni)0.75

HFNI3_BETA γ-Ta(Pd,Rh)3 hP* (Hf)0.25 (Ni)0.75

HFNI_ALPHA (Hf)0.5 (Ni)0.5

HFPD2 MoSi2 tI6 C11b (Hf) (Pd)2

HFRE (Hf) (Re)

HFSIO4 (Hf+4) (Si+4) (O-2)4

HIGH_SIGMA (Mn)8 (Cr)4(Cr,Mn)16

H_L21 AlCu2Mn cF16 L21 (Al,Ni,Ti)0.5 (Al,Hf,Nb,Ni,Ta,Ti,Zr)0.5 (Co,Ni,Ru,VA)

TCNI8


Heusler phase

KYANITE (Al+3) (Al+3) (Si+4) (O-2)5

L102_MNPT Cu3Au cP4 L12 (Mn,Pt)0.25 (Mn,Pt)0.25(Mn,Pt)0.25 (Mn,Pt)0.25

ION_LIQ (Al+3, Co+2, Cr+2,Cu+1, Fe+2, Hf+4, Mn+2, Mo+4, Nb+2, Ni+2, Pd+2, Pt+2, Re+4, Ru+4, Si+4, Ta+5, Ti+2, V+2, W+6, Y+3, Zr+4)P (AlO2

-1, O-2, SiO4-4,

VA, AlN, B, BO1.5, C, N, CoO1.5, CrO1.5,CuO, FeO1.5, MnO1.5, MoO3, NbO2, NbO2.5, ReO3.5, SiO2, TiO2, VO2, VO2.5)Q

LIQUID (Al,B,C,Co,Cr,Cu,Fe,Hf,Mn,Mo,N,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta,Ti,V,W,Y,Zr)

M11SI8 Cr11Ge8 oP76 (Cr,Nb)11 (Si)8

M12C Mo6Ni6C cF104 (Co,Ni)6 (Mo,W)6 (C)

M23C6 Cr23C6 cF116 D84 (Co,Cr,Fe,Mn,Ni,Re,V)20 (Co,Cr,Fe,Mn,Mo,Ni,Re,V,W)3 (C)6

M2B_TETR CuAl2 tI12 C16 (Al,Co,Cr,Fe,Mn,Mo,Nb,Ni,Re,Ta,W)2 (B)

Co2B, Fe2B, Mn2B, Mo2B, Ni2B, Ta2B, W2B

M2O3C (Mn0.5Fe0.5)2O3 cI80 D53 (Al+3, Cr+3, Fe+3, Mn+3, Ni+2, Y, Y+3, Zr+4)2 (O-2, VA)3 (O-2, VA)1

M2O3H La2O3 hP10 (Mn+3,Y, Y+3, Zr+4)2 (O+2, VA)3 (O+2, VA)1

M3B2 Mo2FeB2 tP10 (Cr,Fe,Mo,Ni,W)0.4 (Cr,Fe,Ni)0.2 (B)0.4

M3C2 Cr3C2-β oP20 D510 (Cr,Mo,V,W)3 (C)2

M3SI1 Ti3P tP32 (Hf,Nb,Ta,Ti,Zr)3 (Si)

Nb3Si, Ta3Si, Ti3Si, Zr3Si

TCNI8


M3SI2_D5A Si2U3 tP10 D5a (Hf,Nb,Zr)3 (Si)2

M4SI3 (Cr,Ni)4 (Si)3

M5C2 Mn5C2 (Fe,Mn)5 (C)2

M5SI3_D88 Mn5Si3 hP16 D88 (Cr,Cu,Fe,Hf,Mn,Mo,Nb,Si,Ti,Y,Zr)2 (Cr,Si,Ti)3 (Cr,Cu,Fe,Hf,Mn,Mo,Nb,Ti,Y,Zr)3 (C,VA)

Fe5Si3, Zr5Si3, Hf5Si3, Mn5Si3, Mo5Si3C, Cr5Si3, Ti5Si3

M6C W3Fe3C cF112 E93 (Co,Fe,Ni)2 (Mo,Nb,Ta,W)2 (Co,Cr,Fe,Mo,Nb,Ni,Ta,V,W)2 (C)

M6SI5 V6Si5 oI44 (Cr,Nb)6 (Si)5

M7C3 Cr7C3 oP40 D101 (Co,Cr,Fe,Mn,Mo,Ni,Re,V,W)7 (C)3

MB2_C32 AlB2 hP3 C32 (B)2 (Al,Cr,Hf,Mn,Mo,Nb,Ta,Ti,V,Y,Zr)

AlB2, CrB2, HfB2, MnB2, MoB2, NbB2, TaB2, TiB2, VB2, YB2, ZrB2

MB_B33 BCr oC8 B33 (Cr,Fe,Hf,Mo,Nb,Ni,Ta,Ti,V) (B)

CrB, NbB, NiB, TaB, VB

MC_ETA TiAs hP8 Bi (Mo,V,W) (C,VA)

MoC1-x η

MC_SHP WC hP2 Bh (Mo,W) (C,N)

MoC, WC

MN2B_D1F Mg2Cu oF48 Mn0.6707B0.3293

MN1O2 TiO2 tP6 (Mn)1 (O)2

TCNI8


MNB4 MnB4 mS10 (Mn)0.2(B)0.8

MNYO3_HEX LuMnO3 hP30 (Y+3)1(Mn+3)1 (O-2)3

MN11SI19 (Mn)11 (Al,Si)19

MN12Y ThMn12 hI26 Mn12Y

MN2YO5 DyMn2O5 oP32 (Y+3)1(Mn+3)1(Mn+4)1 (O-2)5

MN23Y6 Th6Mn23 cF116 Mn23Y6

MN3PD5 Pt5Ga3 oS16 (Mn)3 (Pd)5

MN3TI Mn3Ti

MN3SI (Fe,Mn)3 (Al,Si)

MN4TI Cr0.15Mo0.35Co0.

45 hR159 (Mn)0.82 (Ti)0.18

MN6N4 Mn6N4

MN6N5 Mn6N5

MN6SI (Al,Mn)17(Si)3

MN9SI2 (Mn)33(Si)7

MNNI2 Mn1Ni2

MNPD2 Mn1Pd2

MNPT_L10 CuAu tP2 L10 (Mn,Pt)0.5 (Mn,Pt)0.5 (VA)1

The non-configurational contribution to the description of this phase, DIS_FCC_L10, should not be rejected when this phase is defined.

MNTA Mn1Ta1

TCNI8


MNTI_HT Mn0.515Ti0.485

MNTI_LT Zr21Re25 hR276 Mn1Ti1

MO3NI10B11 (Mo)3 (Ni)10 (B)11

MO4O11 (Mo)4 (O)11

MO8O23 Mo8O23 mP124 (Mo)8 (O)23

MO9O26 (Mo) (O)2.889

MOB MoB tI16 Bg (Cr,Fe,Mo) (B)

MOB4 WB4 hP20 (Mo)0.2 (B)0.8

MOCOB (Mo,W) (Co) (B)

also WCoB

MONI4_BETA MoNi4-β tI10 D1a (Mo,W) (Ni)4

also WNi4

MONI_DELTA MoNi-δ oP56 (Co,Cr,Fe,Ni,Re)24 (Co,Cr,Fe,Mo,Ni,Re,W)20 (Cu,Mo,W)12

MOO2 VO2 mP12 (Mo) (O)2

MOO3 MoO3 oP16 (Mo) (O)3

MOSI2_C11B MoSi2 tI6 C11b (Co,Cu,Fe,Mo,Ni,Pd,W) (Al,Hf,Si,Ti,Zr)2

MSI2_C1 CaF2 cF12 C1 (Co,Cu,Ni) (Al,Cu,Si)2

MSI_B27 FeB-β oP8 B27 (Hf,Nb,Ti,Y,Zr) (Si)

MULLITE (Al+3) (Al+3) (Al+3,Si+4) (O-2,VA)5

TCNI8


MU_PHASE W6Fe7 hR13 D85 (Al,Co,Cr,Cu,Fe,Mn,Mo,Nb,Ni,Re,Ta,W) (Al,Co,Cr,Cu,Fe,Mn,Mo,Nb,Ni,Re,Ta,W)2 (Al,Co,Cr,Cu,Fe,Mn,Mo,Nb,Ni,Re,Ta,W)6 (Al,Co,Cr,Cu,Fe,Mn,Mo,Nb,Ni,Re,Ta,W)4

The non-configurational contribution to the description of this phase, DIS_MU, should not be rejected when this phase is defined.

MZR3_E1A E1a (Co,Fe,Ni) (Y,Zr)3

NB13NI75TI12 (Nb)0.13 (Ni)0.75 (Ti)0.12

NB15NI56TI29 (Nb)0.15 (Ni)0.56 (Ti)0.29

NB15NI80TI5 (Nb)0.15 (Ni)0.8 (Ti)0.05

NB2O5 Nb2O5 mP99 (Nb)2 (O)5

NB3RU5 Ge3Rh5 oP16 (Nb,Ru)0.375 (Ru)0.625

NB5NI75TI20 (Nb)0.05 (Ni)0.75 (Ti)0.2

NB8NI9TI3 (Nb)0.4 (Ni)0.45 (Ti)0.15

NBO NbO cP6 (Nb) (O)

NBO2 NbO2 tI96 (Nb) (O)2

NI10ZR7 Ni10Zr7 oC* (Ni)23 (Hf,Zr)17

NI11ZR9 Zr9Pt11 tI40 (Ni)11 (Hf,Zr)9

NI17Y2 Lu1.82Fe17.35 hP80 (Fe,Ni)1 (Y)0.1176

NI2SI_TETA hP6 (Cu,Ni) (Ni,VA) (Al,Si)

NI2TA MoSi2 tI6 C11b (Co,Ni)2 (Ta)

NI2V MoPt2 (Mo,Ni,Pd,Pt)2 (Mo,Nb,Ta,V)

TCNI8


NI2Y TmNi2 cF192 (Ni)2 (Y)

NI2Y3 Ni2Y3 tP80 (Ni)2 (Y)3

NI31SI12 (Co,Cr,Cu,Fe,Ni)5 (Si)2

NI3B_D011 Fe3C oP16 D011 (Co,Cr,Fe,Mo,Ni)3 (B)

NI3CR2B6 V5B6 oS22 (Ni)3 (Cr)2 (B)6

NI3SI2 oP80 (Ni)3 (Si)2

NI3SI_MONOCL Ge9Pt25 hP34 (Ni)3 (Si)

NI3SI_ORTHO Fe3C oP16 D011 (Ni)3 (Si)

NI3TA_D0A Cu3Ti oP8 D0a (Al,Co,Cr,Fe,Ni,Nb,Pt)3 (Al,Fe,Mo,Nb,Ni,Pt,Ta,Ti,V,W)

δ, Ni3Ta, Ni3Mo, Ni3Nb

NI3TI_D024 Ni3Ti hP16 D024 (Al,Co,Cr,Fe,Hf,Ni,Pd,Pt,Ta,Ti,W,Zr)0.75 (Al,Cr,Hf,Mo,Nb,Ni,Pd,Pt,Si,Ta,Ti,W,Zr)0.25

η, Ni3Ti, Ni6AlTa

NI3Y Ni3Pu hR36 (Fe,Ni)3 (Y)

NI4B3 (Ni)0.57142857 (B)0.42857143

NI4SI2B (Ni)4.29 (Si)2 (B)1.43

NI4Y Ni4Y hR* (Ni)4 (Y)

NI5ALB4 (Ni)5 (Al) (B)4

NI5ZR AuBe5 cF24 C15b (Ni,Cu)5 (Hf,Y,Zr)

NI6MNO8 (Ni+2)6 (Mn+4) (O-2)8

TCNI8


NI6SI2B (Ni)6 (Si)2 (B)

NI7ZR2 mC36 (Al,Co,Cr,Ni)7 (Hf,Y,Zr)2

NI8ALB11 m** (Ni)8 (Al) (B)11

NI8TA Ni8Nb tI36 (Ni)8 (Nb,Ta)

NICR3B6 V2B3 oS20 (Ni)0.1 (Cr)0.3 (B)0.6

NIMNO3 (Mn+3, Mn+4, Ni+2)2 (O-2)3

NIMOO4 (Ni+4) (Mo+6) (O-2)

NISI_B31 MnP oP8 B31 (Ni,Pd) (Si)

NITI2 NiTi2 cF96 (Co,Cr,Cu,Fe,Ni,Re,Ti) (Al,Cr,Cu,Hf,Ni,Ta,Ti,Zr)2

NIWO4 AgAuTe4 mP12 (Ni+4) (W+6) (O-2)

NIZR (Ni) (Ti,Y,Zr)

OLIVINE (Co+2,Fe+2,Mn+2,Ni+2) (Co+2,Fe+2,Mn+2,Ni+2) (Si+4) (O-2)4

PD11ZR9 (Pd)11 (Zr)9

PD14SI3 (Pd)14 (Si)3

PD15SI4 aP20 (Pd)15 (Si)4

PD19SI10 (Pd)19 (Si)10

PD21SI4 (Pd,Si)21 (Si)4

PD2TA oI6 (Pd)2 (Ta)

PD2TI MoSi2 tI6 C11b (Pd)2 (Ti)

TCNI8


PD2Y (Pd)2 (Y)

PD2Y3 Er3Y2 hR45 (Pd)2 (Y)3

PD2Y5 Dy2.12Pd0.88 cF144 (Pd)2 (Y)5

PD3M Cu3Au cP4 (Pd)3 (Pd, Y)

PD39SI20 (Pd)39 (Si)20

PD3SI Fe3C oP16 D011 (Pd)3 (Si)

PD3TI2 Au2V oC20 (Pd)3 (Ti)2

PD3Y2_HT (Pd)3 (Y)2

PD3Y2_LT (Pd)3 (Y)2

PD4ZR3 (Pd)4 (Zr)3

PD4Y3 Pu3Pd4 hR42 (Pd)4 (Y)3

PD5SI mP24 (Pd)5 (Si)

PD5TI3 (Pd)5 (Ti)3

PD7Y (Pd)7 (Y)

PD9SI2 oP44 (Pd)9 (Si)2

PDO (Pd) (O)

PDZRM MoSi2 tI6 C11b (Pd) (Zr) (Pd,Zr)

PDZR_ALPHA (Pd) (Zr)

PDZR_BETA (Pd) (Zr)

PDY3 Fe3C oP16 (Pd) (Y)3

TCNI8


PDY_HT (Pd,Y) (Y)

PDY_LT (Pd,Y) (Y)

PI β-Mn cP20 A13 (Cr)12.8 (Fe,Ni)7.2 (N)4

Only stable in C-N-Ni if gas suspended

PSEUDO_BROOKITE

(Ti+4) (Al+3)2 (O-2)5

PT10ZR7 (Pt)10 (Zr)7

PT25SI7 (Pt)25 (Si)7

PT2TA ZrSi2 oC12 C49 (Pt)2 (Ta)

PT2Y MgCu2 cF24 (Pt)2 (Y)

PT3O4 Pt3O4 cP14 (Pt)3 (O)4

PT3TA Pt3Nb mP48 (Pt)3 (Ta)

PT3TI4 (Pt)3 (Ti)4

PT3Y5 Mn5Y3 hP16 (Pt)3 (Y)5

PT3Y7 Th7Fe3 hP20 (Pt)3 (Y)7

PT3ZR5 Mn5Si3 hP16 D88 (Pt,Zr)3 (Pt,Zr)5

PT4Y3 (Pt)4 (Y)3

PT4Y5 Sm5Ge4 oP36 (Pt)4 (Y)5

PT4ZR (Pt,Zr)4 (Pt,Zr)

PT4ZR3 (Pt,Zr)4 (Pt,Zr)3

TCNI8


PT5SI2 (Pt)5 (Si)2

PT5Y * o*72 (Pt)5 (Y)

PT6SI5 mP22 (Pt)6 (Si)5

PT8TI MoNi4-β tI10 D1a (Pt)8 (Ti)

PTO2 (Pt) (O)2

PTSI MnP oP8 B31 (Pt) (Si)

PTY3 Fe3C oP16 (Pt) (Y)3

PTY2 Co2Si-b oP12 (Pt) (Y)2

PTY FeB-b oP8 (Pt) (Y)

P_PHASE Cr9Mo21Ni20 oP56 (Cr,Fe,Ni,Re)24 (Cr,Fe,Mo,Ni,Re)20 (Mo)12

QUARTZ SiO2 hP9 C8 (SiO2)

RE2O7 Re2O7 oP72 (O7Re2)

RE2SI (Re)2 (Si)

RE3B Re3B oC16 E1a (Cr,Mo,Re,Ta,W)3 (B)

RE3CO3B2 Ti3P tP32 (Re)3 (Co)3 (B)2

RE5CO2B4 Ti3P tP22 (Re)4 (Co,Re)2 (Co) (B)4

RE7B3 Th7Fe3 hP20 D102 (Co,Cr,Mo,Nb,Re,Ru,Ta,W)7 (B)3 (B,VA)3

REB2 ReB2 hP6 (Re) (B)2 (B,VA)2

RECOB Co2Si oP12 C37 (Re) (Co) (B)

REO2 (O2Re)

TCNI8


REO3 (O3Re)

RESI2_C11B (Re)0.357 (Si)0.643

REZR2 ReZr2 (Ni,Re) (Zr)2

RHODONITE aP50 (Mn+2) (Si+4) (O-2)3

RUB cI* (Ru) (B)

RUB2 RuB2 oP6 (Ru) (B)2

RU2B3 Ru2B3 hP10 (Ru)2 (B)3

RU2SI_C37 Co2Si Pnma (Ru)2 (Si)

RU2SI3 (Ru)2 (Si)3

RU25Y44 Ru25Y44 oP276 (Ru)25 (Y)44

RU2Y3 Ru2Er3 hP2 (Ru)2 (Y)3

RU2Y5 C2Mn5 mS28 (Ru)2 (Y)5

RU4SI3 Ru4Si3 Pnma (Ru)4 (Si)3

RUO2 TiO2 tP6 C4 (RuO2)

RUSI (Ru) (Si)

RUTILE_MO2 TiO2 tP6 C4 (Al+3,Ru+4,V+4,Ti+4,Zr+4) (O-2,VA)

RUY3 CFe3 oP16 (Ru)1 (Y)3

R_PHASE Co5Cr2Mo3 hR53 (Co,Cr,Fe,Ni,Re)27 (Mo,W)14 (Co,Cr,Fe,Mo,Ni,Re,W)12

SI3N4 (Si)3 (N)4

TCNI8


SI5V6 Nb6Sn5 (Si)5 (V)6

SIC ZnS cF8 B3 (Si) (C)

SIGMA CrFe tP30 D8b (Al,Co,Cr,Fe,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta,Ti,V,W)10 (Al,Co,Cr,Fe,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta,Ti,V,W)4 (Al,Co,Cr,Fe,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Ta,Ti,V,W)16

The non-configurational contribution to the description of this phase, DIS_SIG, should not be rejected when this phase is defined.

SILLIMANITE (Al+3) (Al+3) (Si+4) (O-2)5

High pressure phase

SPINEL MgAl2O4 cF56 H11 (Al+3,Co+2,Co+3,Cr+2,Cr+3,Fe+2,Fe+3,Mn+2,Ni+2) (Al+3,Co+2,Co+3,Cr+3,Fe+2,Fe+3,Mn+2,Mn+3,Mn+

4,Ni+2,VA)2 (Cr+2,Fe+2,Mn+2,VA)2(O-2)4

T1CUNITI (Cu,Ni)2 (Ti)

T1_CU2TI (Cu,Fe)2 (Ti)

T2_CUNITI (Cu)0.18 (Ni)2.82 (Ti)2

T2_CU3TI2 (Cu,Fe)3 (Ti)2

T3_CU4TI3 (Cu,Fe)4 (Ti)3

T4CUFETI (Cu,Fe)0.63 (Ti)0.37

T4CUNITI (Cu)0.05 (Ni)0.7 (Ti)0.25

T5CUFETI (Cu,Fe)0.55 (Ti)0.45

T6CUNITI (Cu)0.25 (Ni)0.5 (Ti)0.25

TCNI8


TA2O5_HT (Ta)2 (O)5

TA2O5_LT (Ta)2 (O)5

TA5SI3_D8L Cr5B3 tI32 D8l (Hf,Nb,Ta)5 (Al,Si)3

TAAL mP* (Ta)0.51515 (Al)0.48485

TAAL2 Ta39Al69 cF444 (Ta)0.35 (Al)0.65

TAN_EPS (Ta) (N)

TAU Cr23C6 cF116 D84 (Co,Hf,Ni,Re)20 (B)6 (B,VA)6 (Al,Cr,Hf,Mo,Re,Ta,Ti,V,W,Zr)3

TI25MN9AL66_L12

(Al.Mn,Ti)0.25 (Al,Mn)0.08 (Al,Mn,Ti)0.67

TI2N_C4 (Ti)2 (N)

TI3N2 (Ti)0.71 (N)0.29

TI3O2 (Ti+2)2 (Ti) (O+2)2

TI3O5 (Ti+3)2 (Ti+4) (O-2)5

TI3SIC2 (Ti)3 (Si) (C)2

TI4N3 (Ti)0.685 (N)0.315

TIO_ALPHA TiO mS20 (Ti+2) (O-2)

TISI2_C54 TiSi2 oF24 C54 (Mo,Nb,Ru,Ti) (Al,Si)2

TRIDYMITE SiO2 hP12 C10 (SiO2)

V2B3 oC** (V)0.4 (B)0.6

V2O5 V2O5 oP14 (V+5)2 (O-2)5

TCNI8


V2O_SS (V) (O,VA)0.5

V3C2 hR20 (V)3 (C)2

V52O64 (V)52 (O)64

δ' V oxide

V5B6 V5B6 (Nb,V)5 (B)6

VO2_LT (V+4) (O-2)2

W2COB2 W2CoB2 oI10 (Mo,W)2 (Co,Ni) (B)2

W3COC (W)3 (Co,Ni) (C)

W5SI3_D8M W5Si3 tI32 D8m (Cr,Fe,Mo,Nb,V,W)4 (Cr,Fe,Mo,Nb,V,W,Si) (Al,Si)3

WO2 (O2W)

WO2_72 (O2.72W)

WO2_90 (O2.9W)

WO2_96 (O2.96W)

WO3_HT WO3 tP16 (O3W)

WO3_LT (O3W)

WO3_LT (O3W)

Y15C19_H (Y)15 (C)19

Y15C19_R (Y)15 (C)19

Y2C3_H (Y)2 (C)2 (C, VA)

TCNI8


Y2C3_R (Y)2 (C)2 (C, VA)

Y2CU2O5 (Y+3)2 (Cu+2)2 (O-2)5

Y2S2A_Y2SI2O7 (Y+3)1(Y+3)1(Si2O7-6)1

Y2S2B_Y2SI2O7 (Y+3)1(Y+3)1(Si2O7-6)1

Y2S2D_Y2SI2O7 Y2[Si2O7] oP44 (Y+3)1(Y+3)1(Si2O7-6)1

Y2S2G_Y2SI2O7 (Y+3)1(Y+3)1(Si2O7-6)1

Y2SIO5 Y2[SiO4]O mS64 (Y+3)1(Y+3)1(SiO4-4)1O-2)1

Y3SI5_HT (Y)3 (Si)5

Y3SI5_LT (Y)3 (Si)5

YAG Y3Al5O12 cI160 (Al+3,Cr+3,Fe+3)5(Y+3)3(O-2)12

YAM Y4Al2O9 mP60 (Al+3Si+4)2(Y+3)4(O-2,Va)1(O-2)9

YAP GdFeO3 oP20 (Al+3,Cr+3,Fe+3)1(Y+3)1(O-2)3

YB4 UB4 tP20 (Y) (B)4

YB6 CaB6 cP7 (Y) (B)6

YB66 YB66 cf1936 (Y) (B)66

YC_GAMMA NaCl cF8 (Y) (C, C2, VA)

YCUO2 (Y+3) (Cu+1) (O-2)2

YC2_C11A CaC2 tI6 (C)2 (Y)

YSI2_HT AlB2 hP3 (Si)2 (Y)

ZR3Y4O12 Y6OU12 hR57 (Zr+4)3(Y+3)4(O-2)12

TCNI8


ZR5SI4 Zr5Si4 tP36 (Hf,Nb,Ti,Y,Zr)5 (Si)4

ZRO2_MONO ZrO2 mP12 C43 (Al+3,Cr+3,Hf+4,Ti+4,Y+3,Zr+4)2(O-2,Va)4

Baddeleyite

ZRO2_TETR ZrO2 tP6 (Al+3,Cr+3,Fe+2,Hf+4,Mn+2,Mn+3,Ni+2,Ti+4,Y+3,Zr+4)2(O-2,Va)4

ZRSI2_C49 ZrSi2 oC12 C49 (Zr,Y,Hf,Nb) (Si)2

ZRSIO4 (Si+4)1(Zr+4)1(O-2)4

ZRTI2O6 (Zr+4)1(Ti+4)2(O-2)6

ZRTIO4_ALPHA (Zr+4)1(Ti+4)1(O-2)4

ZRTIO4_BETA (Ti+4,Zr+4)2(O-2)4

Z_PHASE (Cr,Fe) (Mo,Nb,V) (N,VA)

TCNI8: TCS Ni-based Superalloys Database (Extended ... · TCNI8 . . 1 of 46 . TCNI8: TCS Ni-based...

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