TCNB1 Models for the Included Phases

Name	Prototype	Strukturbericht	Pearson Symbol	Space Group	Info	Sublattices	Formula Unit
AL11CR2	Al5Cr		mS732	(15, C2/c)		3	(AL)10.0(AL)1.0(CR)2.0
AL12W	Al12W		cI26	(204, Im-3)	also Al12Mo, Al12Re.	2	(AL)12.0(MO, W)1.0
AL13CR2	Al45V7		mS104	(12, C2/m)		2	(AL)13.0(CR)2.0
AL17MO4	Al17Mo4		mS84	(5, C2)		2	(AL)17.0(MO)4.0
AL21V2	Al10V		cF176	(227, Fd-3m)		2	(AL)21.0(V)2.0
AL22MO5	Al22Mo5		oF216	(43, Fdd2)		2	(AL)22.0(MO)5.0
AL23V4	Al23V4		hP54	(194, P6_3/mmc)		2	(AL)23.0(V)4.0
AL2TI_LT	Ga2Hf		tI24	(141, I4_1/amd)		2	(AL, NB, TI)2.0(AL, NB, TA, TI, V, ZR)1.0
AL2ZR3	Zr3Al2		tP20	(136, P4_2/mnm)	also Al2Hf3, Al2Y3.	2	(AL)2.0(HF, TI, ZR)3.0
AL3MO	MoAl3		mS32	(12, C2/m)		2	(AL)3.0(MO, NB)1.0
AL3TI_D022	Al3Ti (D022)	D022	tI8	(139, I4/mmm)	gamma double prime, AL3TI_D022, Al3M, Ni3V.	2	(AL, CR, MO, NB, SI, TI, V, W)3.0(AL, CR, MO, NB, SI, TA, TI, V, W, ZR)1.0
AL3TI_LT	Al3Ti-LT		tI32	(139, I4/mmm)		2	(AL, TI)3.0(AL, TI, ZR)1.0
AL3ZR2	Zr2Al3		oF40	(43, Fdd2)	also Al3Hf2.	2	(AL)3.0(HF, ZR)2.0
AL3ZR4	Al3Zr4		hP7	(191, P6/mmm)	also Al3Hf4.	2	(AL)3.0(HF, TI, ZR)4.0
AL3ZR5_D8M	W5Si3 (D8m)	D8m	tI32	(140, I4/mcm)		2	(AL)3.0(TI, ZR)5.0
AL3ZR_D023	Al3Zr (D023)	D023	tI16	(139, I4/mmm)	also Al3Hf, Zn3Zr.	2	(AL)3.0(HF, TI, ZR)1.0
AL45V7	Al45V7		mS104	(12, C2/m)	aka Al7V	2	(AL)45.0(V)7.0
AL4C3_D71	Al4C3 (D71)	D71	hR7	(166, R-3m)		2	(AL, SI)4.0(C)3.0
AL4CR	mu-Al4Mn		hP574	(194, P6_3/mmc)		2	(AL)4.0(CR)1.0
AL4SIC4_E94	Al5C3N (E94)	E94	hP18	(186, P6_3mc)		3	(AL)4.0(SI)1.0(C)4.0
AL4W	Al4W		mS30	(8, Cm)	also Al4Mo.	2	(AL)4.0(MO, NB, W)1.0
AL4ZR5	Ti5Ga4		hP18	(193, P6_3/mcm)		2	(AL)4.0(ZR)5.0
AL5TI2_HT	Al5Ti2		tP28	(123, P4/mmm)		2	(AL, TI)5.0(AL, NB, TA, TI, V, ZR)2.0
AL5TI3	Al5Ti3		tP32	(127, P4/mbm)		2	(AL)5.0(TA, TI)3.0
AL5W	Al5W		hP12	(182, P6_322)	also AL5MO.	2	(AL)5.0(MO, W)1.0
AL63MO37	Unknown Structure				Mo3Al5_HT	2	(AL)63.0(MO)37.0
AL8CR5_LT_D810	Cr5Al8 (D810)	D810	hR26	(160, R3m)		2	(AL)8.0(CR, V)5.0
AL8MO3	Al8Mo3		mS22	(12, C2/m)		2	(AL)8.0(MO, NB)3.0
AL8SIC7	Unknown Structure		hP16			3	(AL)8.0(SI)1.0(C)7.0
AL8V5_D82	gamma-brass (Cu5Zn8, D82)	D82	cI52	(217, I-43m)		2	(AL, V)8.0(AL, CR, V, ZR)5.0
AL9CR4_HT	Unknown Structure					2	(AL)9.0(CR)4.0
AL9CR4_LT	Unknown Structure					2	(AL)9.0(CR)4.0
ALCR2C	AlCCr2		hP8	(194, P6_3/mmc)	MAX_PHASE.	3	(AL)1.0(C)1.0(CR)2.0
ALPHA_B19	beta'-AuCd (B19)	B19	oP4	(51, Pmma)	an ordered HCP.	2	(MO, NB, TI, V, ZR)1.0(MO, NB, TI, V, ZR)1.0
ALSI3TI2	Zr3Al4Si5		tI24	(141, I4_1/amd)	aka Ti7Al5Si12, Tau1	3	(AL)0.166667(SI)0.5(TI)0.333333
ALTI3_D019	Ni3Sn (D019)	D019	hP8	(194, P6_3/mmc)	also Ni3Sn_LT, Mn3Sn, Ti3Sn.	2	(AL, CR, MO, NB, TA, TI, V, W, ZR)3.0(AL, C, CR, MO, NB, SI, TA, TI, V, W)1.0
ALTI_L10	CuAu (L10)	L10	tP2	(123, P4/mmm)	Solid solution of ordered L10.	2	(AL, CR, MO, NB, TA, TI, V, W, ZR)1.0(AL, CR, MO, NB, TA, TI, V, W, ZR)1.0
ALZR2_B82	Ni2In (B82)	B82	hP6	(194, P6_3/mmc)		2	(AL)1.0(TI, ZR)2.0
ALZR_B33	CrB (B33)	B33	oS8	(63, Cmcm)	also AlHf, ALY_B33.	2	(AL)1.0(HF, ZR)1.0
Al2W_C40	CrSi2 (C40)	C40	hP9	(180, P6_222)		2	(AL)2.0(W)1.0
B82_OMEGA	Ni2In (B82)	B82	hP6	(194, P6_3/mmc)		3	(AL)1.0(NB, TA, TI)1.0(TI)1.0
BCC_A2	Body-Centered Cubic (W, A2, bcc)	A2	cI2	(229, Im-3m)	BCC_A2 will be combined to BCC_B2 if defined.	2	(AL, CR, HF, MO, NB, SI, TA, TI, V, VA, W, ZR)1.0(C, VA)3.0
BCC_B2	CsCl (B2)	B2	cP2	(221, Pm-3m)	This phase has some contribution from BCC_A2.	3	(AL, CR, HF, MO, NB, SI, TA, TI, V, VA, W, ZR)0.5(AL, CR, HF, MO, NB, SI, TA, TI, V, VA, W, ZR)0.5(C, VA)3.0
C14_LAVES	MgZn2 Hexagonal Laves (C14)	C14	hP12	(194, P6_3/mmc)	also CuZn2.	2	(AL, CR, HF, MO, NB, SI, TA, TI, V, W, ZR)2.0(AL, CR, HF, MO, NB, SI, TA, TI, V, W, ZR)1.0
C15_LAVES	Cu2Mg Cubic Laves (C15)	C15	cF24	(227, Fd-3m)		2	(AL, CR, HF, MO, NB, SI, TA, TI, V, W, ZR)2.0(AL, CR, HF, MO, NB, SI, TA, TI, V, W, ZR)1.0
C16_THETA	Khatyrkite (Al2Cu, C16)	C16	tI12	(140, I4/mcm)		2	(AL, HF, MO, NB, TA, TI, V, W, ZR)2.0(AL, CR, SI)1.0
C36_LAVES	MgNi2 Hexagonal Laves (C36)	C36	hP24	(194, P6_3/mmc)		2	(AL, CR, HF, MO, NB, TA, TI, W, ZR)2.0(AL, CR, HF, MO, NB, TA, TI, W, ZR)1.0
CBCC_A12	alpha-Mn (A12)	A12	cI58	(217, I-43m)		2	(AL, CR, MO, NB, SI, TA, TI, V, W, ZR)1.0(C, VA)1.0
CEMENTITE_D011	Cementite (Fe3C, D011)	D011	oP16	(62, Pnma)		2	(CR, MO, V, W)3.0(C)1.0
CHI_A12	alpha-Mn (A12)	A12	cI58	(217, I-43m)	also M5Re24, Mo2Re8, Ta3Re7, WRe3.	3	(CR)24.0(AL, CR, HF, MO, NB, TA, TI, W, ZR)10.0(CR, MO, NB, TA, W)24.0
CR3SI_A15	Cr3Si (A15)	A15	cP8	(223, Pm-3n)	also Cr3X, Nb3X, Ti3X, V3X.	3	(AL, CR, MO, NB, SI, TA, TI, V, W, ZR)3.0(AL, CR, MO, NB, SI, TA, TI, V, W, ZR)1.0(C, VA)3.0
CRNBSI	ZrNiAl		hP9	(189, P-62m)		3	(CR)1.0(NB)1.0(SI)1.0
CRNI2_OP6	MoPt2		oI6	(71, Immm)		2	(CR, MO, W)1.0(MO, W)2.0
CRSI2_C40	CrSi2 (C40)	C40	hP9	(180, P6_222)	also NbSi2, TaSi2, VSi2.	2	(CR, HF, MO, NB, SI, TA, TI, V, W, ZR)1.0(AL, CR, SI)2.0
CUB_A13	beta-Mn (A13)	A13	cP20	(213, P4_132)		2	(AL, CR, HF, MO, NB, SI, TA, TI, V, W, ZR)1.0(C, VA)1.0
DIAMOND_A4	Diamond (A4)	A4	cF8	(227, Fd-3m)	Pure C, Si or solid solution phases based on them.	1	(AL, C, SI)1.0
DIS_MU	Fe7W6 (D85) mu-phase	D85	hR13	(166, R-3m)	Part of the description for the MU_PHASE	1	(AL, CR, MO, NB, TA, TI, W)1.0
FCC_A1	Face-Centered Cubic (Cu, A1, fcc)	A1	cF4	(225, Fm-3m)	FCC_A1 will be combined to FCC_L12 if defined.	2	(AL, CR, HF, MO, NB, SI, TA, TI, V, W, ZR)1.0(C, VA)1.0
GAS	Gas					1	(AL, AL1C1, AL1C2, AL2, AL2C2, C, C1SI1, C1SI2, C1SI3, C1SI4, C2, C2SI1, C2SI2, C2SI3, C3, C4, C5, C60, CR, CR2, HF, MO, MO2, NB, SI, SI2, SI3, TA, TI, TI2, V, W, ZR, ZR2)1.0
GRAPHITE_A9	Hexagonal Graphite (A9)	A9	hP4	(194, P6_3/mmc)		1	(C)1.0
G_PHASE_D8A	Th6Mn23 (D8a)	D8a	cF116	(225, Fm-3m)		3	(AL, TI)16.0(HF, NB, TI, ZR)6.0(SI)7.0
HCP_A3	Hexagonal Close Packed (Mg, A3, hcp)	A3	hP2	(194, P6_3/mmc)	Disordered HCP_A3 solution phase.	2	(AL, CR, HF, MO, NB, SI, TA, TI, V, W, ZR)1.0(C, VA)0.5
HEUSLER_L21	Heusler (L21)	L21	cF16	(225, Fm-3m)	aka H_L21.	3	(AL, CR, TI)0.5(AL, HF, NB, TA, TI, ZR)0.5(VA)1.0
L12_FCC	Bogdanovite (Cu3Au, L12)	L12	cP4	(221, Pm-3m)		2	(AL, CR, TI, ZR)0.75(AL, CR, SI, TA, TI, ZR)0.25
LIQUID	Liquid					1	(AL, C, CR, HF, MO, NB, SI, TA, TI, V, W, ZR)1.0
M11SI8	Cr11Ge8		oP76	(62, Pnma)	also Cr11Si8, Nb11Si8.	2	(CR, NB)11.0(SI)8.0
M23C6_D84	Cr23C6 (D84)	D84	cF116	(225, Fm-3m)		3	(CR, V)20.0(CR, MO, V, W)3.0(C)6.0
M3C2_D510	Tongbaite (Cr3C2, D510)	D510	oP20	(62, Pnma)		2	(CR, MO, V, W)3.0(C)2.0
M3SI1	Ti3P		tP32	(86, P4_2/n)	also Nb3Si, Ta3Si, Ti3Si, Zr3Si.	2	(HF, NB, TA, TI, ZR)3.0(SI)1.0
M3SI2_D5A	Si2U3 (D5a)	D5a	tP10	(127, P4/mbm)	also Hf3Si2, Zr3Si2.	2	(HF, NB, ZR)3.0(SI)2.0
M4SI3	Ru4Si3		oP28	(62, Pnma)	also Cr4Si3, Nb4Si3.	2	(CR)4.0(SI)3.0
M5SI3_D88	Mavlyanovite (Mn5Si3, D88)	D88	hP16	(193, P6_3/mcm)	also M5Sn3, M5Si3C.	4	(CR, HF, MO, NB, SI, TI, W, ZR)2.0(AL, CR, SI, TI)3.0(CR, HF, MO, NB, TI, ZR)3.0(C, VA)1.0
M6SI5	Si5V6		oI44	(72, Ibam)	also Cr6Si5, Nb6Si5.	2	(CR, NB, TI, V)6.0(SI)5.0
M7C3_D101	C3Cr7 (D101)	D101	oP40	(62, Pnma)		2	(CR, MO, V, W)7.0(C)3.0
MC_ETA	CMo		hP12	(194, P6_3/mmc)		2	(MO, V, W)1.0(C, VA)1.0
MC_SHP	Tungsten Carbide (Bh)	Bh	hP2	(187, P-6m2)	also MoC_LT, Strukturbericht Bh	2	(MO, W)1.0(C)1.0
MONI_DELTA	MoNi		oP56	(19, P2_12_12_1)		3	(CR)24.0(CR, MO, W)20.0(MO, W)12.0
MOSI2_C11B	MoSi2 (C11b)	C11b	tI6	(139, I4/mmm)	also AlCr2, Ti2Zn, ZnZr2, CUZR2_C11B.	2	(AL, MO, W)1.0(AL, CR, HF, SI, TI, ZR)2.0
MSI_B20	FeSi (B20)	B20	cP8	(198, P2_13)	also CoSi, CrSi, MnSi, ReSi.	2	(CR)1.0(AL, SI)1.0
MSI_B27	FeB (B27)	B27	oP8	(62, Pnma)	also TiSi, HfSi, YSi, ZrSi(alpha).	2	(HF, NB, TI, ZR)1.0(AL, SI)1.0
MU_PHASE	Fe7W6 (D85) mu-phase	D85	hR13	(166, R-3m)	DIS_MU contribution added onto it.	4	(AL, CR, MO, NB, TA, TI, W)1.0(AL, CR, MO, NB, TA, TI, W)2.0(AL, CR, MO, NB, TA, TI, W)6.0(AL, CR, MO, NB, TA, TI, W)4.0
NI3TA_D0A	beta-TiCu3 (D0a)	D0a	oP8	(59, Pmmn)	also delta, Ni3Mo, Ni3Nb.	2	(AL, CR, NB)3.0(AL, MO, NB, TA, TI, V, W)1.0
NI3TI_D024	Ni3Ti (D024)	D024	hP16	(194, P6_3/mmc)	also Eta, AlNi6Ta.	2	(AL, CR, HF, TA, TI, W, ZR)0.75(AL, CR, HF, MO, NB, SI, TA, TI, W, ZR)0.25
NITI2	NiTi2		cF96	(227, Fd-3m)		2	(CR, TI)1.0(AL, CR, HF, TA, TI, ZR)2.0
O_PHASE	NaHg		oS16	(63, Cmcm)	aka Ti2NbAl, the O phase.	3	(NB, TA, TI)0.5(AL, NB, TA, TI)0.25(NB, TA, TI)0.25
R_PHASE	R-(Co,Cr,Mo)		hR53	(148, R-3)		3	(CR)27.0(MO, W)14.0(CR, MO, W)12.0
SIC_B3	Zincblende (ZnS, B3)	B3	cF8	(216, F-43m)		2	(SI)1.0(C)1.0
SIGMA	sigma-CrFe (D8b)	D8b	tP30	(136, P4_2/mnm)	DIS_SIG contribution added onto it.	3	(AL, CR, MO, NB, TA, TI, V, W)10.0(CR, MO, NB, TA, TI, V, W)4.0(AL, CR, MO, NB, SI, TA, TI, V, W)16.0
TA1AL1	Al38Ta48		mP86	(14, P2_1/c)		2	(TA)0.51515(AL)0.48485
NB5SI3_D8L	Cr5B3 (D8l)	D8l	tI32	(140, I4/mcm)	also alpha-Nb5Si3 and Ta5Si3.	2	(CR, HF, MO, NB, TA, TI, V, W, ZR)5.0(AL, SI)3.0
TAAL2_HT	Al69Ta39		cF444	(216, F-43m)		2	(TA)0.35(AL)0.65
TA5SI3C	TA5SI3C	TA5SI3C	TA5SI3C	TA5SI3C	TA5SI3C	TA5SI3C	TA5SI3C
TI2ALC	AlCCr2		hP8	(194, P6_3/mmc)	i.e. Ti2AlC1-x.	3	(TI)2.0(AL)1.0(C, VA)1.0
TI3ALC2	Ti3SiC2		hP12	(194, P6_3/mmc)		3	(TI)3.0(AL, SI)1.0(C, VA)2.0
TI3ALC_E21	Cubic Perovskite (CaTiO3, E21)	E21	cP5	(221, Pm-3m)	i.e. Ti3AlC1-x.	3	(TI)3.0(AL)1.0(C, VA)1.0
TI3SIC2	Ti3SiC2		hP12	(194, P6_3/mmc)		3	(TI)3.0(SI)1.0(C)2.0
TISI2_C54	TiSi2 (C54)	C54	oF24	(70, Fddd)	also MoSi2, RuAl2, ZrSn2.	2	(MO, NB, TI, ZR)1.0(AL, SI)2.0
W5SI3_D8M	W5Si3 (D8m)	D8m	tI32	(140, I4/mcm)	also Cr5Si3, Mo5Si3, Nb5Si3, V5Si3.	3	(CR, MO, NB, TA, TI, V, W)4.0(CR, MO, NB, SI, TA, TI, V, W)1.0(AL, SI)3.0
ZR5SI4_TP36	Si4Zr5		tP36	(92, P4_12_12)	also Hf5Si4, Ti5Si4.	2	(HF, MO, NB, TI, ZR)5.0(AL, SI)4.0
ZRSI2_C49	ZrSi2 (C49)	C49	oS12	(63, Cmcm)	also HfSi2.	2	(HF, NB, ZR)1.0(SI)2.0
Z_PHASE	CrNbN		tP6	(129, P4/nmm)		3	(CR)1.0(MO, NB, V)1.0(VA)1.0

AL11CR2

Al5Cr

mS732

(15, C2/c)

3

(AL)10.0(AL)1.0(CR)2.0

AL12W

Al12W

cI26

(204, Im-3)

also Al12Mo, Al12Re.

2

(AL)12.0(MO, W)1.0

AL13CR2

Al45V7

mS104

(12, C2/m)

2

(AL)13.0(CR)2.0

AL17MO4

Al17Mo4

mS84

(5, C2)

2

(AL)17.0(MO)4.0

AL21V2

Al10V

cF176

(227, Fd-3m)

2

(AL)21.0(V)2.0

AL22MO5

Al22Mo5

oF216

(43, Fdd2)

2

(AL)22.0(MO)5.0

AL23V4

Al23V4

hP54

(194, P6_3/mmc)

2

(AL)23.0(V)4.0

AL2TI_LT

Ga2Hf

tI24

(141, I4_1/amd)

2

(AL, NB, TI)2.0(AL, NB, TA, TI, V, ZR)1.0

AL2ZR3

Zr3Al2

tP20

(136, P4_2/mnm)

also Al2Hf3, Al2Y3.

2

(AL)2.0(HF, TI, ZR)3.0

AL3MO

MoAl3

mS32

(12, C2/m)

2

(AL)3.0(MO, NB)1.0

AL3TI_D022

Al3Ti (D022)

D022

tI8

(139, I4/mmm)

gamma double prime, AL3TI_D022, Al3M, Ni3V.

2

(AL, CR, MO, NB, SI, TI, V, W)3.0(AL, CR, MO, NB, SI, TA, TI, V, W, ZR)1.0

AL3TI_LT

Al3Ti-LT

tI32

(139, I4/mmm)

2

(AL, TI)3.0(AL, TI, ZR)1.0

AL3ZR2

Zr2Al3

oF40

(43, Fdd2)

also Al3Hf2.

2

(AL)3.0(HF, ZR)2.0

AL3ZR4

Al3Zr4

hP7

(191, P6/mmm)

also Al3Hf4.

2

(AL)3.0(HF, TI, ZR)4.0

AL3ZR5_D8M

W5Si3 (D8m)

D8m

tI32

(140, I4/mcm)

2

(AL)3.0(TI, ZR)5.0

AL3ZR_D023

Al3Zr (D023)

D023

tI16

(139, I4/mmm)

also Al3Hf, Zn3Zr.

2

(AL)3.0(HF, TI, ZR)1.0

AL45V7

Al45V7

mS104

(12, C2/m)

aka Al7V

2

(AL)45.0(V)7.0

AL4C3_D71

Al4C3 (D71)

D71

hR7

(166, R-3m)

2

(AL, SI)4.0(C)3.0

AL4CR

mu-Al4Mn

hP574

(194, P6_3/mmc)

2

(AL)4.0(CR)1.0

AL4SIC4_E94

Al5C3N (E94)

E94

hP18

(186, P6_3mc)

3

(AL)4.0(SI)1.0(C)4.0

AL4W

Al4W

mS30

(8, Cm)

also Al4Mo.

2

(AL)4.0(MO, NB, W)1.0

AL4ZR5

Ti5Ga4

hP18

(193, P6_3/mcm)

2

(AL)4.0(ZR)5.0

AL5TI2_HT

Al5Ti2

tP28

(123, P4/mmm)

2

(AL, TI)5.0(AL, NB, TA, TI, V, ZR)2.0

AL5TI3

Al5Ti3

tP32

(127, P4/mbm)

2

(AL)5.0(TA, TI)3.0

AL5W

Al5W

hP12

(182, P6_322)

also AL5MO.

2

(AL)5.0(MO, W)1.0

AL63MO37

Unknown Structure

Mo3Al5_HT

2

(AL)63.0(MO)37.0

AL8CR5_LT_D810

Cr5Al8 (D810)

D810

hR26

(160, R3m)

2

(AL)8.0(CR, V)5.0

AL8MO3

Al8Mo3

mS22

(12, C2/m)

2

(AL)8.0(MO, NB)3.0

AL8SIC7

Unknown Structure

hP16

3

(AL)8.0(SI)1.0(C)7.0

AL8V5_D82

gamma-brass (Cu5Zn8, D82)

D82

cI52

(217, I-43m)

2

(AL, V)8.0(AL, CR, V, ZR)5.0

AL9CR4_HT

Unknown Structure

2

(AL)9.0(CR)4.0

AL9CR4_LT

Unknown Structure

2

(AL)9.0(CR)4.0

ALCR2C

AlCCr2

hP8

(194, P6_3/mmc)

MAX_PHASE.

3

(AL)1.0(C)1.0(CR)2.0

ALPHA_B19

beta'-AuCd (B19)

B19

oP4

(51, Pmma)

an ordered HCP.

2

(MO, NB, TI, V, ZR)1.0(MO, NB, TI, V, ZR)1.0

ALSI3TI2

Zr3Al4Si5

tI24

(141, I4_1/amd)

aka Ti7Al5Si12, Tau1

3

(AL)0.166667(SI)0.5(TI)0.333333

ALTI3_D019

Ni3Sn (D019)

D019

hP8

(194, P6_3/mmc)

also Ni3Sn_LT, Mn3Sn, Ti3Sn.

2

(AL, CR, MO, NB, TA, TI, V, W, ZR)3.0(AL, C, CR, MO, NB, SI, TA, TI, V, W)1.0

ALTI_L10

CuAu (L10)

L10

tP2

(123, P4/mmm)

Solid solution of ordered L10.

2

(AL, CR, MO, NB, TA, TI, V, W, ZR)1.0(AL, CR, MO, NB, TA, TI, V, W, ZR)1.0

ALZR2_B82

Ni2In (B82)

B82

hP6

(194, P6_3/mmc)

2

(AL)1.0(TI, ZR)2.0

ALZR_B33

CrB (B33)

B33

oS8

(63, Cmcm)

also AlHf, ALY_B33.

2

(AL)1.0(HF, ZR)1.0

Al2W_C40

CrSi2 (C40)

C40

hP9

(180, P6_222)

2

(AL)2.0(W)1.0

B82_OMEGA

Ni2In (B82)

B82

hP6

(194, P6_3/mmc)

3

(AL)1.0(NB, TA, TI)1.0(TI)1.0

BCC_A2

Body-Centered Cubic (W, A2, bcc)

A2

cI2

(229, Im-3m)

BCC_A2 will be combined to BCC_B2 if defined.

2

(AL, CR, HF, MO, NB, SI, TA, TI, V, VA, W, ZR)1.0(C, VA)3.0

BCC_B2

CsCl (B2)

B2

cP2

(221, Pm-3m)

This phase has some contribution from BCC_A2.

3

(AL, CR, HF, MO, NB, SI, TA, TI, V, VA, W, ZR)0.5(AL, CR, HF, MO, NB, SI, TA, TI, V, VA, W, ZR)0.5(C, VA)3.0

C14_LAVES

MgZn2 Hexagonal Laves (C14)

C14

hP12

(194, P6_3/mmc)

also CuZn2.

2

(AL, CR, HF, MO, NB, SI, TA, TI, V, W, ZR)2.0(AL, CR, HF, MO, NB, SI, TA, TI, V, W, ZR)1.0

C15_LAVES

Cu2Mg Cubic Laves (C15)

C15

cF24

(227, Fd-3m)

2

(AL, CR, HF, MO, NB, SI, TA, TI, V, W, ZR)2.0(AL, CR, HF, MO, NB, SI, TA, TI, V, W, ZR)1.0

C16_THETA

Khatyrkite (Al2Cu, C16)

C16

tI12

(140, I4/mcm)

2

(AL, HF, MO, NB, TA, TI, V, W, ZR)2.0(AL, CR, SI)1.0

C36_LAVES

MgNi2 Hexagonal Laves (C36)

C36

hP24

(194, P6_3/mmc)

2

(AL, CR, HF, MO, NB, TA, TI, W, ZR)2.0(AL, CR, HF, MO, NB, TA, TI, W, ZR)1.0

CBCC_A12

alpha-Mn (A12)

A12

cI58

(217, I-43m)

2

(AL, CR, MO, NB, SI, TA, TI, V, W, ZR)1.0(C, VA)1.0

CEMENTITE_D011

Cementite (Fe3C, D011)

D011

oP16

(62, Pnma)

2

(CR, MO, V, W)3.0(C)1.0

CHI_A12

alpha-Mn (A12)

A12

cI58

(217, I-43m)

also M5Re24, Mo2Re8, Ta3Re7, WRe3.

3

(CR)24.0(AL, CR, HF, MO, NB, TA, TI, W, ZR)10.0(CR, MO, NB, TA, W)24.0

CR3SI_A15

Cr3Si (A15)

A15

cP8

(223, Pm-3n)

also Cr3X, Nb3X, Ti3X, V3X.

3

(AL, CR, MO, NB, SI, TA, TI, V, W, ZR)3.0(AL, CR, MO, NB, SI, TA, TI, V, W, ZR)1.0(C, VA)3.0

CRNBSI

ZrNiAl

hP9

(189, P-62m)

3

(CR)1.0(NB)1.0(SI)1.0

CRNI2_OP6

MoPt2

oI6

(71, Immm)

2

(CR, MO, W)1.0(MO, W)2.0

CRSI2_C40

CrSi2 (C40)

C40

hP9

(180, P6_222)

also NbSi2, TaSi2, VSi2.

2

(CR, HF, MO, NB, SI, TA, TI, V, W, ZR)1.0(AL, CR, SI)2.0

CUB_A13

beta-Mn (A13)

A13

cP20

(213, P4_132)

2

(AL, CR, HF, MO, NB, SI, TA, TI, V, W, ZR)1.0(C, VA)1.0

DIAMOND_A4

Diamond (A4)

A4

cF8

(227, Fd-3m)

Pure C, Si or solid solution phases based on them.

1

(AL, C, SI)1.0

DIS_MU

Fe7W6 (D85) mu-phase

D85

hR13

(166, R-3m)

Part of the description for the MU_PHASE

1

(AL, CR, MO, NB, TA, TI, W)1.0

FCC_A1

Face-Centered Cubic (Cu, A1, fcc)

A1

cF4

(225, Fm-3m)

FCC_A1 will be combined to FCC_L12 if defined.

2

(AL, CR, HF, MO, NB, SI, TA, TI, V, W, ZR)1.0(C, VA)1.0

GAS

Gas

1

(AL, AL1C1, AL1C2, AL2, AL2C2, C, C1SI1, C1SI2, C1SI3, C1SI4, C2, C2SI1, C2SI2, C2SI3, C3, C4, C5, C60, CR, CR2, HF, MO, MO2, NB, SI, SI2, SI3, TA, TI, TI2, V, W, ZR, ZR2)1.0

GRAPHITE_A9

Hexagonal Graphite (A9)

A9

hP4

(194, P6_3/mmc)

1

(C)1.0

G_PHASE_D8A

Th6Mn23 (D8a)

D8a

cF116

(225, Fm-3m)

3

(AL, TI)16.0(HF, NB, TI, ZR)6.0(SI)7.0

HCP_A3

Hexagonal Close Packed (Mg, A3, hcp)

A3

hP2

(194, P6_3/mmc)

Disordered HCP_A3 solution phase.

2

(AL, CR, HF, MO, NB, SI, TA, TI, V, W, ZR)1.0(C, VA)0.5

HEUSLER_L21

Heusler (L21)

L21

cF16

(225, Fm-3m)

aka H_L21.

3

(AL, CR, TI)0.5(AL, HF, NB, TA, TI, ZR)0.5(VA)1.0

L12_FCC

Bogdanovite (Cu3Au, L12)

L12

cP4

(221, Pm-3m)

2

(AL, CR, TI, ZR)0.75(AL, CR, SI, TA, TI, ZR)0.25

LIQUID

Liquid

1

(AL, C, CR, HF, MO, NB, SI, TA, TI, V, W, ZR)1.0

M11SI8

Cr11Ge8

oP76

(62, Pnma)

also Cr11Si8, Nb11Si8.

2

(CR, NB)11.0(SI)8.0

M23C6_D84

Cr23C6 (D84)

D84

cF116

(225, Fm-3m)

3

(CR, V)20.0(CR, MO, V, W)3.0(C)6.0

M3C2_D510

Tongbaite (Cr3C2, D510)

D510

oP20

(62, Pnma)

2

(CR, MO, V, W)3.0(C)2.0

M3SI1

Ti3P

tP32

(86, P4_2/n)

also Nb3Si, Ta3Si, Ti3Si, Zr3Si.

2

(HF, NB, TA, TI, ZR)3.0(SI)1.0

M3SI2_D5A

Si2U3 (D5a)

D5a

tP10

(127, P4/mbm)

also Hf3Si2, Zr3Si2.

2

(HF, NB, ZR)3.0(SI)2.0

M4SI3

Ru4Si3

oP28

(62, Pnma)

also Cr4Si3, Nb4Si3.

2

(CR)4.0(SI)3.0

M5SI3_D88

Mavlyanovite (Mn5Si3, D88)

D88

hP16

(193, P6_3/mcm)

also M5Sn3, M5Si3C.

4

(CR, HF, MO, NB, SI, TI, W, ZR)2.0(AL, CR, SI, TI)3.0(CR, HF, MO, NB, TI, ZR)3.0(C, VA)1.0

M6SI5

Si5V6

oI44

(72, Ibam)

also Cr6Si5, Nb6Si5.

2

(CR, NB, TI, V)6.0(SI)5.0

M7C3_D101

C3Cr7 (D101)

D101

oP40

(62, Pnma)

2

(CR, MO, V, W)7.0(C)3.0

MC_ETA

CMo

hP12

(194, P6_3/mmc)

2

(MO, V, W)1.0(C, VA)1.0

MC_SHP

Tungsten Carbide (Bh)

Bh

hP2

(187, P-6m2)

also MoC_LT, Strukturbericht Bh

2

(MO, W)1.0(C)1.0

MONI_DELTA

MoNi

oP56

(19, P2_12_12_1)

3

(CR)24.0(CR, MO, W)20.0(MO, W)12.0

MOSI2_C11B

MoSi2 (C11b)

C11b

tI6

(139, I4/mmm)

also AlCr2, Ti2Zn, ZnZr2, CUZR2_C11B.

2

(AL, MO, W)1.0(AL, CR, HF, SI, TI, ZR)2.0

MSI_B20

FeSi (B20)

B20

cP8

(198, P2_13)

also CoSi, CrSi, MnSi, ReSi.

2

(CR)1.0(AL, SI)1.0

MSI_B27

FeB (B27)

B27

oP8

(62, Pnma)

also TiSi, HfSi, YSi, ZrSi(alpha).

2

(HF, NB, TI, ZR)1.0(AL, SI)1.0

MU_PHASE

Fe7W6 (D85) mu-phase

D85

hR13

(166, R-3m)

DIS_MU contribution added onto it.

4

(AL, CR, MO, NB, TA, TI, W)1.0(AL, CR, MO, NB, TA, TI, W)2.0(AL, CR, MO, NB, TA, TI, W)6.0(AL, CR, MO, NB, TA, TI, W)4.0

NI3TA_D0A

beta-TiCu3 (D0a)

D0a

oP8

(59, Pmmn)

also delta, Ni3Mo, Ni3Nb.

2

(AL, CR, NB)3.0(AL, MO, NB, TA, TI, V, W)1.0

NI3TI_D024

Ni3Ti (D024)

D024

hP16

(194, P6_3/mmc)

also Eta, AlNi6Ta.

2

(AL, CR, HF, TA, TI, W, ZR)0.75(AL, CR, HF, MO, NB, SI, TA, TI, W, ZR)0.25

NITI2

NiTi2

cF96

(227, Fd-3m)

2

(CR, TI)1.0(AL, CR, HF, TA, TI, ZR)2.0

O_PHASE

NaHg

oS16

(63, Cmcm)

aka Ti2NbAl, the O phase.

3

(NB, TA, TI)0.5(AL, NB, TA, TI)0.25(NB, TA, TI)0.25

R_PHASE

R-(Co,Cr,Mo)

hR53

(148, R-3)

3

(CR)27.0(MO, W)14.0(CR, MO, W)12.0

SIC_B3

Zincblende (ZnS, B3)

B3

cF8

(216, F-43m)

2

(SI)1.0(C)1.0

SIGMA

sigma-CrFe (D8b)

D8b

tP30

(136, P4_2/mnm)

DIS_SIG contribution added onto it.

3

(AL, CR, MO, NB, TA, TI, V, W)10.0(CR, MO, NB, TA, TI, V, W)4.0(AL, CR, MO, NB, SI, TA, TI, V, W)16.0

TA1AL1

Al38Ta48

mP86

(14, P2_1/c)

2

(TA)0.51515(AL)0.48485

NB5SI3_D8L

Cr5B3 (D8l)

D8l

tI32

(140, I4/mcm)

also alpha-Nb5Si3 and Ta5Si3.

2

(CR, HF, MO, NB, TA, TI, V, W, ZR)5.0(AL, SI)3.0

TAAL2_HT

Al69Ta39

cF444

(216, F-43m)

2

(TA)0.35(AL)0.65

TA5SI3C

TI2ALC

AlCCr2

hP8

(194, P6_3/mmc)

i.e. Ti2AlC1-x.

3

(TI)2.0(AL)1.0(C, VA)1.0

TI3ALC2

Ti3SiC2

hP12

(194, P6_3/mmc)

3

(TI)3.0(AL, SI)1.0(C, VA)2.0

TI3ALC_E21

Cubic Perovskite (CaTiO3, E21)

E21

cP5

(221, Pm-3m)

i.e. Ti3AlC1-x.

3

(TI)3.0(AL)1.0(C, VA)1.0

TI3SIC2

Ti3SiC2

hP12

(194, P6_3/mmc)

3

(TI)3.0(SI)1.0(C)2.0

TISI2_C54

TiSi2 (C54)

C54

oF24

(70, Fddd)

also MoSi2, RuAl2, ZrSn2.

2

(MO, NB, TI, ZR)1.0(AL, SI)2.0

W5SI3_D8M

W5Si3 (D8m)

D8m

tI32

(140, I4/mcm)

also Cr5Si3, Mo5Si3, Nb5Si3, V5Si3.

3

(CR, MO, NB, TA, TI, V, W)4.0(CR, MO, NB, SI, TA, TI, V, W)1.0(AL, SI)3.0

ZR5SI4_TP36

Si4Zr5

tP36

(92, P4_12_12)

also Hf5Si4, Ti5Si4.

2

(HF, MO, NB, TI, ZR)5.0(AL, SI)4.0

ZRSI2_C49

ZrSi2 (C49)

C49

oS12

(63, Cmcm)

also HfSi2.

2

(HF, NB, ZR)1.0(SI)2.0

Z_PHASE

CrNbN

tP6

(129, P4/nmm)

3

(CR)1.0(MO, NB, V)1.0(VA)1.0