PanTiAl2026: List of Phases
Phases (208)
|
Name |
Model |
Lattice Size |
Constituent |
|
A15 |
CEF (SLN) |
(3)(1) |
(Al,Cr,Mo,Nb,Ta,Ti)(Al,Mo,Nb,Sn,Ti) |
|
AL3NBTI4 |
CEF (ST3) |
(3)(1)(4) |
(Al)(Nb)(Ti) |
|
A_AlNbTi2 |
CEF (SLN) |
(0.75)(0.25) |
(Al,Nb,Ti)(Al,Nb,Ti) |
|
A_TiO |
CEF (ST2) |
(1)(1) |
(Ti)(O) |
|
Al10V |
CEF (ST2) |
(10)(1) |
(Al)(V) |
|
Al11Cr2 |
CEF (ST2) |
(0.846)(0.154) |
(Al)(Cr) |
|
Al11Mn4 |
CEF (ST2) |
(11)(4) |
(Al)(Mn) |
|
Al11Mn4_HT |
CEF (SLN) |
(29)(10) |
(Al,Mn)(Mn) |
|
Al11Ti5 |
CEF (ST2) |
(17)(8) |
(Al)(Ti) |
|
Al12M |
CEF (SLN) |
(12)(1) |
(Al)(Mn,Mo,W) |
|
Al13Cr2 |
CEF (ST2) |
(0.8667)(0.1333) |
(Al)(Cr) |
|
Al17Mo4 |
CEF (ST2) |
(17)(4) |
(Al)(Mo) |
|
Al22Mo5 |
CEF (ST2) |
(22)(5) |
(Al)(Mo) |
|
Al23V4 |
CEF (ST2) |
(23)(4) |
(Al)(V) |
|
Al2B51C8 |
CEF (ST3) |
(2)(51)(8) |
(Al)(B)(C) |
|
Al2Ti |
CEF (SLN) |
(2)(1) |
(Al,Cr)(Mo,Nb,Ti) |
|
Al2W |
CEF (ST2) |
(2)(1) |
(Al)(W) |
|
Al2Zr3 |
CEF (ST2) |
(2)(3) |
(Al)(Zr) |
|
Al3B48C2 |
CEF (ST3) |
(3)(48)(2) |
(Al)(B)(C) |
|
Al3BC |
CEF (ST3) |
(3)(1)(1) |
(Al)(B)(C) |
|
Al3BC3 |
CEF (ST3) |
(3)(1)(3) |
(Al)(B)(C) |
|
Al3Mo |
CEF (ST2) |
(3)(1) |
(Al)(Mo) |
|
Al3SiB48 |
CEF (ST3) |
(3)(1)(48) |
(Al)(Si)(B) |
|
Al3Zr |
CEF (ST2) |
(3)(1) |
(Al)(Zr) |
|
Al3Zr2 |
CEF (ST2) |
(3)(2) |
(Al)(Zr) |
|
Al3Zr4 |
CEF (ST2) |
(3)(4) |
(Al)(Zr) |
|
Al3Zr5 |
CEF (SLN) |
(3)(5) |
(Al)(Ti,Zr) |
|
Al4C3 |
CEF (SLN) |
(4)(3) |
(Al,Si)(B,C) |
|
Al4Cr |
CEF (ST2) |
(0.8)(0.2) |
(Al)(Cr) |
|
Al4M |
CEF (SLN) |
(4)(1) |
(Al)(Mo,W) |
|
Al4Mn |
CEF (ST2) |
(4)(1) |
(Al)(Mn) |
|
Al4Mn_L |
CEF (ST2) |
(461)(107) |
(Al)(Mn) |
|
Al4SiC4 |
CEF (ST3) |
(4)(1)(4) |
(Al)(Si)(C) |
|
Al4Zr5 |
CEF (ST2) |
(4)(5) |
(Al)(Zr) |
|
Al5M |
CEF (SLN) |
(5)(1) |
(Al)(Mo,W) |
|
Al63Mo37 |
CEF (ST2) |
(63)(37) |
(Al)(Mo) |
|
Al67M8Ti25 |
CEF (SLN) |
(67)(8)(25) |
(Al,Cr,Mn,Ti)(Al,Cr,Mn)(Al,Cr,Mn,Ti) |
|
Al69Ta39 |
CEF (SLN) |
(0.6389)(0.3611) |
(Al,Ta,Ti)(Al,Ta) |
|
Al6Mn |
CEF (ST2) |
(6)(1) |
(Al)(Mn) |
|
Al77W23 |
CEF (ST2) |
(77)(23) |
(Al)(W) |
|
Al7V |
CEF (ST2) |
(7)(1) |
(Al)(V) |
|
Al7W3 |
CEF (ST2) |
(7)(3) |
(Al)(W) |
|
Al8Mn5 |
CEF (SLN) |
(12)(5)(9) |
(Al)(Mn)(Al,Mn) |
|
Al8Mo3 |
CEF (SLN) |
(8)(3) |
(Al,Ti)(Mo) |
|
Al8SiC7 |
CEF (ST3) |
(8)(1)(7) |
(Al)(Si)(C) |
|
Al8V5 |
CEF (ST2) |
(8)(5) |
(Al)(V) |
|
AlB12 |
CEF (ST2) |
(1)(12) |
(Al)(B) |
|
AlB40C4 |
CEF (ST3) |
(1)(40)(4) |
(Al)(B)(C) |
|
AlCr2 |
CEF (SLN) |
(0.333)(0.667) |
(Al,Cr)(Al,Cr,Ti) |
|
AlN |
CEF (ST2) |
(1)(1) |
(Al)(N) |
|
AlNbO4 |
CEF (ST3) |
(1)(1) |
(Al2O3)(Nb2O5) |
|
AlZr |
CEF (ST2) |
(1)(1) |
(Al)(Zr) |
|
AlZr2 |
CEF (ST2) |
(1)(2) |
(Al)(Zr) |
|
Alpha-Mn2B |
CEF (ST2) |
(0.670691)(0.329309) |
(Mn)(B) |
|
Alpha_B |
CEF (ST1) |
(1) |
(B) |
|
Alpha_M5Si3 |
CEF (SLN) |
(5)(3) |
(Nb,Ta,W)(Si) |
|
Alpha_MoB |
CEF (SLN) |
(0.5)(0.5) |
(Mo,W)(B,Va) |
|
Alpha_SiZr |
CEF (ST2) |
(1)(1) |
(Zr)(Si) |
|
Alpha_TiMn |
CEF (SLN) |
(1)(1) |
(Cr,Mn)(Ti) |
|
B2 |
CEF (SLN) |
(1)(1) |
(Al,Cr,Mn,Mo,Nb,Ti)(Cr,Mn,Mo,Nb,Ti,Va) |
|
B4C |
CEF (SLN) |
(1)(1) |
(B12,B11C)(B2,B2C,BC2,Si2) |
|
BCT_A5 |
CEF (SLN) |
(1) |
(Al,Sn) |
|
BETA_VO |
CEF (SLN) |
(1)(1) |
(V)(O,Va) |
|
B_AlNbTi2 |
CEF (SLN) |
(0.5)(0.25)(0.25) |
(Al,Nb,Ti)(Al,Nb,Ti)(Al,Nb,Ti) |
|
Bcc |
CEF (SLN) |
(1)(3) |
(Al,Cr,Mn,Mo,Nb,Si,Sn,Ta,Ti,V,W,Zr) (B,C,N,O,Va) |
|
Bcc_B2 |
CEF (SLN) |
(0.5)(0.5)(3) |
(Al,Cr,Mn,Mo,Nb,Ta,Ti,V,W) (Al,Cr,Mn,Mo,Nb,Ta,Ti,V,W)(Va) |
|
Beta_B |
CEF (SLN) |
(93)(12) |
(B)(B,Mn,Si,Zr) |
|
Beta_Cr5Si3 |
CEF (SLN) |
(5)(3) |
(Cr)(Cr,Si) |
|
Beta_Si4Zr5 |
CEF (ST2) |
(4)(5) |
(Si)(Zr) |
|
Beta_SiZr |
CEF (ST2) |
(1)(1) |
(Si)(Zr) |
|
Beta_TiMn |
CEF (ST2) |
(0.515)(0.485) |
(Mn)(Ti) |
|
Beta_WC |
CEF (SLN) |
(1)(1) |
(Mo,W)(C) |
|
C16 |
CEF (SLN) |
(1)(2) |
(Si)(Ta,Zr) |
|
C2V3 |
CEF (ST2) |
(2)(3) |
(C)(V) |
|
CBCC_A12 |
CEF (SLN) |
(1)(1) |
(Al,Cr,Mn,Mo,Nb,Si,Sn,Ta,Ti,V)(C,Va) |
|
CUB_A13 |
CEF (SLN) |
(1)(1) |
(Al,Cr,Mn,Mo,Nb,Si,Sn,Ta,Ti,V)(C,Va) |
|
Cementite |
CEF (SLN) |
(3)(1) |
(Cr,Mn,Mo)(C) |
|
Corundum |
CEF (SLN) |
(2)(3) |
(Al,Cr,Ti,V)(O) |
|
Cr2B |
CEF (SLN) |
(0.667)(0.333) |
(Cr,Mo)(B) |
|
Cr3Mn5 |
CEF (ST2) |
(3)(5) |
(Cr)(Mn) |
|
Cr3Si |
CEF (SLN) |
(3)(1)(3) |
(Cr,Mo,Nb,Si,V)(Cr,Mo,Si,V)(Va) |
|
Cr5B3 |
CEF (SLN) |
(0.625)(0.375) |
(Cr,Mo)(B) |
|
CrB |
CEF (SLN) |
(0.5)(0.5) |
(Cr,Mn,Mo,Nb,Ta,Ti,W)(B,Va) |
|
CrB4 |
CEF (ST2) |
(0.2)(0.8) |
(Cr)(B) |
|
CrSi |
CEF (SLN) |
(1)(1) |
(Cr,Mn)(Al,Si) |
|
CrSi2 |
CEF (SLN) |
(1)(2) |
(Cr,Mo,Nb,Si,Ta,V)(Cr,Si) |
|
Cristobalite |
CEF (ST2) |
(1)(2) |
(Si)(O) |
|
D0_19 |
CEF (SLN) |
(0.75)(0.25)(0.5) |
(Al,Cr,Mn,Mo,Nb,Ta,Ti,V,Zr) (Al,Mn,Mo,Nb,Sn,Ta,Ti,Zr)(C,O,N,Va) |
|
D0_22 |
CEF (SLN) |
(0.75)(0.25)(0.5) |
(Al,Cr,Mo,Si,Ti)(Al,Cr,Mo,Nb,Ta,Ti,V)(C,Va) |
|
Diamond |
CEF (SLN) |
(1) |
(Al,B,C,Si,Sn,Ti) |
|
Disorder |
CEF (SLN) |
(1)(1) |
(Al,Cr,Mn,Mo,Nb,Si,Sn,Ta,Ti,V,W,Zr)(Va) |
|
Fcc |
CEF (SLN) |
(1)(1) |
(Al,Cr,Mn,Mo,Nb,Si,Sn,Ta,Ti,V,W,Zr)(B,C,N,O,Va) |
|
GAS |
GAS |
(1) |
(Al,AlO,AlO2,Al2,Al2O,Al2O2,Al2O3, |
|
Gamma |
CEF (SLN) |
(2)(2)(3)(6) |
(Al,Cr,Ti)(Al,Cr,Ti)(Cr)(Al) |
|
Graphite |
CEF (SLN) |
(1) |
(B,C) |
|
H_Sigma_CrMn |
CEF (SLN) |
(8)(4)(18) |
(Mn)(Cr)(Cr,Mn) |
|
H_Ti2AlC |
CEF (SLN) |
(2)(1)(1) |
(Ti)(Al)(C,Va) |
|
Halite |
CEF (SLN) |
(1)(1) |
(Mn+2,Mn+3,V,V+2,V+3,Va)(O-2,Va) |
|
Hcp |
CEF (SLN) |
(1)(0.5) |
(Al,Cr,Mn,Mo,Nb,Si,Sn,Ta,Ti,V,W,Zr)(B,C,N,O,Va) |
|
L10_TiAl |
CEF (SLN) |
(1)(1)(2) |
(Al,Cr,Mn,Mo,Nb,Sn,Ta,Ti,V,W,Zr)(Al,Cr,Mn,Mo,Nb,Sn,Ta,Ti,V,W,Zr)(C,O,N,Va) |
|
L12 |
CEF (SLN) |
(0.75)(0.25)(1) |
(Al,Cr,Mn,Mo,Nb,Ti,W,Zr)(Al,Cr,Mn,Mo,Nb,Ti,W,Zr)(Va) |
|
Laves_C14 |
CEF (SLN) |
(2)(1) |
(Al,Cr,Mn,Mo,Nb,Ta,Ti,V,Zr)(Al,Cr,Mn,Mo,Nb,Ta,Ti,V,Zr) |
|
Laves_C15 |
CEF (SLN) |
(2)(1) |
(Al,Cr,Mn,Mo,Nb,Ta,Ti,V,W,Zr)(Al,Cr,Mn,Mo,Nb,Ta,Ti,V,W,Zr) |
|
Laves_C36 |
CEF (SLN) |
(2)(1) |
(Al,Cr,Ti,V,Zr)(Al,Cr,Ti,V,Zr) |
|
Liquid |
CEF (SLN) |
(1) |
(Al,B,C,Cr,Mn,Mo,N,Nb,O,Si,Sn, |
|
M23C6 |
CEF (SLN) |
(20)(3)(6) |
(Cr,Mn,Mo)(Cr,Mn,Mo,W)(C) |
|
M2B |
CEF (SLN) |
(2)(1) |
(Cr,Mn,Mo,Ta,W)(B) |
|
M3B2 |
CEF (SLN) |
(0.6)(0.4) |
(Cr,Mo,Nb,Ta,Ti)(B) |
|
M3B4 |
CEF (SLN) |
(3)(4) |
(Cr,Mn,Mo,Nb,Ta,Ti)(B) |
|
M3C2 |
CEF (SLN) |
(3)(2) |
(Cr,Mo,W)(C) |
|
M3O4 |
CEF (ST2) |
(3)(4) |
(Cr)(O) |
|
M3Si |
CEF (SLN) |
(3)(1) |
(Mo,Nb,Ta,Ti,Zr)(Si) |
|
M5Si3 |
CEF (SLN) |
(0.5)(0.125)(0.375) |
(Cr,Mo,Nb,Ta,V,W)(Cr,Mo,Nb,Si,Ta,V,W)(Mo,Nb,Si) |
|
M7C3 |
CEF (SLN) |
(7)(3) |
(Cr,Mn,Mo,W)(C) |
|
MB |
CEF (SLN) |
(1)(1) |
(Mn,Nb,Ti)(B,C) |
|
MB2 |
CEF (SLN) |
(1)(2) |
(Al,Cr,Mn,Mo,Nb,Ta,Ti,Zr,Va)(B,C,Va) |
|
MO2 |
CEF (SLN) |
(1)(2) |
(Mo,W,Zr)(O) |
|
MSi2 |
CEF (SLN) |
(1)(2) |
(Mo,Nb,W)(Si,Va) |
|
Mn11Si19 |
CEF (SLN) |
(11)(19) |
(Mn)(Al,Si) |
|
Mn19Sn6 |
CEF (ST2) |
(19)(6) |
(Mn)(Sn) |
|
Mn2Sn |
CEF (ST2) |
(2)(1) |
(Mn)(Sn) |
|
Mn3O4_A |
CEF (ST2) |
(3)(4) |
(Mn)(O) |
|
Mn3O4_B |
CEF (ST2) |
(3)(4) |
(Mn)(O) |
|
Mn3Si |
CEF (SLN) |
(3)(1) |
(Mn)(Al,Si) |
|
Mn3Ti |
CEF (ST2) |
(3)(1) |
(Mn)(Ti) |
|
Mn4Ti |
CEF (ST2) |
(0.815)(0.185) |
(Mn)(Ti) |
|
Mn5C2 |
CEF (ST2) |
(5)(2) |
(Mn)(C) |
|
Mn5Si3 |
CEF (SLN) |
(2)(3)(3)(1) |
(Mn,Si,Ti,Zr)(Al,Si,Ti)(Mn,Ti,Zr)(C,Va) |
|
Mn6Si |
CEF (SLN) |
(17)(3) |
(Mn)(Al,Si) |
|
Mn9Si2 |
CEF (ST2) |
(33)(7) |
(Mn)(Si) |
|
MnB4 |
CEF (ST2) |
(0.2)(0.8) |
(Mn)(B) |
|
MnSn2 |
CEF (ST2) |
(1)(2) |
(Mn)(Sn) |
|
Mo2B5 |
CEF (SLN) |
(2)(5) |
(Mo,W)(B,Va) |
|
Mo3Sn |
CEF (ST2) |
(3)(1) |
(Mo)(Sn) |
|
MoB4 |
CEF (ST2) |
(0.8)(0.2) |
(B)(Mo) |
|
MoC_Eta |
CEF (SLN) |
(1)(1) |
(Mo,Ti)(C,Va) |
|
MoSn |
CEF (ST2) |
(1)(1) |
(Mo)(Sn) |
|
MoSn2 |
CEF (ST2) |
(1)(2) |
(Mo)(Sn) |
|
Mu |
CEF (SLN) |
(7)(2)(4) |
(Al,Cr,Mn,Mo,Nb)(Mo,Nb,Ti)(Cr,Mo,Nb,Ti) |
|
Nb2B3 |
CEF (ST2) |
(2)(3) |
(Nb)(B) |
|
Nb2O5 |
CEF (ST2) |
(2)(5) |
(Nb)(O) |
|
Nb3Sn |
CEF (SLN) |
(3)(1) |
(Nb,Sn)(Nb,Sn) |
|
Nb5B6 |
CEF (SLN) |
(5)(6) |
(Nb,Ti)(B) |
|
Nb6Sn5 |
CEF (SLN) |
(24)(16)(4) |
(Nb)(Sn)(Nb,Sn) |
|
NbO |
CEF (ST2) |
(1)(1) |
(Nb)(O) |
|
NbO2 |
CEF (ST2) |
(1)(2) |
(Nb)(O) |
|
NbSn2 |
CEF (ST2) |
(1)(2) |
(Nb)(Sn) |
|
P_Ti3AlC |
CEF (SLN) |
(3)(1)(1) |
(Ti)(Al,Ti)(C,Va) |
|
Phi |
CEF (SLN) |
(0.8837)(1.1163) |
(Al,Ta,Ti)(Al,Ta,Ti) |
|
Quartz |
CEF (ST2) |
(1)(2) |
(Si)(O) |
|
Rutile |
CEF (SLN) |
(1)(2) |
(Mn,Sn,Ti,V)(O) |
|
Si2Zr |
CEF (ST2) |
(2)(1) |
(Si)(Zr) |
|
Si2Zr3 |
CEF (ST2) |
(2)(3) |
(Si)(Zr) |
|
Si3N4 |
CEF (ST2) |
(3)(4) |
(Si)(N) |
|
SiB3 |
CEF (SLN) |
(6)(2)(6) |
(B)(Si)(B,Si) |
|
SiB6 |
CEF (SLN) |
(210)(23)(48) |
(B)(Si)(B,Si) |
|
SiBn |
CEF (SLN) |
(61)(1)(8) |
(B)(Si)(B,Si) |
|
SiC |
CEF (SLN) |
(1)(1) |
(Si)(B,C) |
|
Sigma |
CEF (SLN) |
(8)(4)(18) |
(Al,Cr,Mn,Ta,W)(Cr,Mo,Nb,Ta,Ti,V,W)(Al,Cr,Mn,Mo,Nb,Ta,Ti,V,W) |
|
Sn2V |
CEF (ST2) |
(0.333)(0.333)(0.334) |
(V)(Sn)(Sn) |
|
Sn2Zr |
CEF (ST2) |
(2)(1) |
(Sn)(Zr) |
|
Sn3Ta2 |
CEF (ST2) |
(3)(2) |
(Sn)(Ta) |
|
Sn3Ti2 |
CEF (ST2) |
(0.6)(0.4) |
(Sn)(Ti) |
|
Sn3Ti5 |
CEF (ST2) |
(3)(5) |
(Sn)(Ti) |
|
Sn3Zr5 |
CEF (SLN) |
(5)(3)(1) |
(Zr)(Sn)(Sn,Va) |
|
Sn5Ti6 |
CEF (ST2) |
(5)(6) |
(Sn)(Ti) |
|
SnTi2 |
CEF (ST2) |
(1)(2) |
(Sn)(Ti) |
|
SnV3 |
CEF (SLN) |
(0.25)(0.75) |
(Sn,V)(V) |
|
SnZr4 |
CEF (SLN) |
(3)(1) |
(Sn,Zr)(Sn,Zr) |
|
Ta2O5_S |
CEF (SLN) |
(1) |
(Ta,Ta2O5) |
|
Ta2O5_S2 |
CEF (SLN) |
(1) |
(Ta,Ta2O5) |
|
Ti2AlN |
CEF (ST3) |
(2)(1)(0.82) |
(Ti)(Al)(N) |
|
Ti2N |
CEF (ST2) |
(2)(1) |
(Ti)(N) |
|
Ti3Al2N2 |
CEF (ST3) |
(3)(2)(2) |
(Ti)(Al)(N) |
|
Ti3AlN |
CEF (ST3) |
(3)(1)(0.56) |
(Ti)(Al)(N) |
|
Ti3MC2 |
CEF (SLN) |
(3)(1)(2) |
(Ti)(Al,Si)(C,Va) |
|
Ti3N2 |
CEF (ST2) |
(0.71)(0.29) |
(Ti)(N) |
|
Ti3O2 |
CEF (ST2) |
(3)(2) |
(Ti)(O) |
|
Ti4N3 |
CEF (ST2) |
(0.685)(0.315) |
(Ti)(N) |
|
Ti6Si2B |
CEF (ST3) |
(6)(2)(1) |
(Ti)(Si)(B) |
|
Ti7Al5Si12 |
CEF (SLN) |
(7)(1)(16) |
(Ti)(Al)(Al,Si) |
|
TiM2 |
CEF (SLN) |
(1)(2) |
(Ti)(Al,Si) |
|
TiNb2O7 |
CEF (ST3) |
(1)(1) |
(TiO2)(Nb2O5) |
|
TiOx |
CEF (SLN) |
(1)(1)(1) |
(Ti+2,Ti+3,Va)(Ti,Va)(O-2) |
|
TiSi |
CEF (SLN) |
(0.5)(0.5) |
(Ti)(Al,Si) |
|
TiSi2 |
CEF (SLN) |
(1)(2) |
(Ti)(Al,Si) |
|
Tridymite |
CEF (ST2) |
(1)(2) |
(Si)(O) |
|
V2B3 |
CEF (ST2) |
(2)(3) |
(V)(B) |
|
V3B2 |
CEF (ST2) |
(3)(2) |
(V)(B) |
|
V3B4 |
CEF (ST2) |
(3)(4) |
(V)(B) |
|
V5B6 |
CEF (ST2) |
(5)(6) |
(V)(B) |
|
V6Si5 |
CEF (ST2) |
(0.545455)(0.454545) |
(V)(Si) |
|
VB |
CEF (ST2) |
(1)(1) |
(V)(B) |
|
VB2 |
CEF (ST2) |
(1)(2) |
(V)(B) |
|
W2B9 |
CEF (ST2) |
(2)(9) |
(W)(B) |
|
WO272 |
CEF (ST2) |
(1)(2.72) |
(W)(O) |
|
WO290 |
CEF (ST2) |
(1)(2.9) |
(W)(O) |
|
WO296 |
CEF (ST2) |
(1)(2.96) |
(W)(O) |
|
WO3_A |
CEF (ST2) |
(1)(3) |
(W)(O) |
|
WO3_B |
CEF (ST2) |
(1)(3) |
(W)(O) |
|
Zr2O |
CEF (ST2) |
(2)(1) |
(Zr)(O) |
|
Zr3O |
CEF (ST2) |
(3)(1) |
(Zr)(O) |
|
Zr5Si4 |
CEF (SLN) |
(5)(4) |
(Ti,Zr)(Si) |
|
Zr6O |
CEF (ST2) |
(6)(1) |
(Zr)(O) |
|
ZrB |
CEF (ST2) |
(1)(1) |
(Zr)(B) |
|
ZrB12 |
CEF (ST2) |
(1)(12) |
(Zr)(B) |
|
ZrO2_Cubic |
CEF (SLN) |
(1)(2) |
(Zr)(O,Va) |
|
ZrO2_Tetragonal |
CEF (SLN) |
(1)(2) |
(Zr)(O,Va) |