PanNb2026: List of Phases
Phases (192)
|
Name |
Model |
Lattice Size |
Constituent |
|
A15_Nb3Al |
CEF (SLN) |
(0.75)(0.25) |
(Cr,Fe,Hf,Mo,Nb,Si,Ti,V)(Al,Cr,Nb,Si,Ti,V) |
|
A_TiO |
CEF (ST2) |
(1)(1) |
(Ti)(O) |
|
Al10V |
CEF (ST2) |
(10)(1) |
(Al)(V) |
|
Al11Cr2 |
CEF (ST2) |
(10)(1)(2) |
(Al)(Al)(Cr) |
|
Al11Re4 |
CEF (ST2) |
(11)(4) |
(Al)(Re) |
|
Al12Mo |
CEF (ST2) |
(12)(1) |
(Al)(Mo) |
|
Al12Re |
CEF (ST2) |
(12)(1) |
(Al)(Re) |
|
Al12W |
CEF (ST2) |
(12)(1) |
(Al)(W) |
|
Al13Cr2 |
CEF (ST2) |
(13)(2) |
(Al)(Cr) |
|
Al13Fe4 |
CEF (SLN) |
(0.6275)(0.235)(0.1375) |
(Al)(Fe)(Al,Va) |
|
Al17Mo4 |
CEF (ST2) |
(17)(4) |
(Al)(Mo) |
|
Al1Fe1O3 |
CEF (ST3) |
(1)(1)(3) |
(Al+3)(Fe+3)(O-2) |
|
Al22Mo5 |
CEF (ST2) |
(22)(5) |
(Al)(Mo) |
|
Al23V4 |
CEF (ST2) |
(23)(4) |
(Al)(V) |
|
Al2Fe |
CEF (ST2) |
(2)(1) |
(Al)(Fe) |
|
Al2Hf |
CEF (ST2) |
(0.66667)(0.33333) |
(Al)(Hf) |
|
Al2Hf3 |
CEF (ST2) |
(0.4)(0.6) |
(Al)(Hf) |
|
Al2W |
CEF (ST2) |
(2)(1) |
(Al)(W) |
|
Al2Zr |
CEF (ST2) |
(2)(1) |
(Al)(Zr) |
|
Al2Zr3 |
CEF (ST2) |
(2)(3) |
(Al)(Zr) |
|
Al3Hf2 |
CEF (ST2) |
(0.6)(0.4) |
(Al)(Hf) |
|
Al3Hf4 |
CEF (ST2) |
(0.42857)(0.57143) |
(Al)(Hf) |
|
Al3Hf_alpha |
CEF (ST2) |
(0.75)(0.25) |
(Al)(Hf) |
|
Al3Hf_beta |
CEF (ST2) |
(0.75)(0.25) |
(Al)(Hf) |
|
Al3Mo |
CEF (ST2) |
(3)(1) |
(Al)(Mo) |
|
Al3V |
CEF (ST2) |
(3)(1) |
(Al)(V) |
|
Al3Zr |
CEF (ST2) |
(3)(1) |
(Al)(Zr) |
|
Al3Zr2 |
CEF (ST2) |
(3)(2) |
(Al)(Zr) |
|
Al3Zr4 |
CEF (ST2) |
(3)(4) |
(Al)(Zr) |
|
Al3Zr5 |
CEF (ST2) |
(3)(5) |
(Al)(Zr) |
|
Al4Cr |
CEF (ST2) |
(4)(1) |
(Al)(Cr) |
|
Al4M |
CEF (ST2) |
(4)(1) |
(Al)(W) |
|
Al4Mo |
CEF (ST2) |
(4)(1) |
(Al)(Mo) |
|
Al4Re |
CEF (ST2) |
(4)(1) |
(Al)(Re) |
|
Al4Zr5 |
CEF (ST2) |
(4)(5) |
(Al)(Zr) |
|
Al5Fe2 |
CEF (ST2) |
(5)(2) |
(Al)(Fe) |
|
Al5Fe4 |
CEF (SLN) |
(1) |
(Al,Fe) |
|
Al5M |
CEF (ST2) |
(5)(1) |
(Al)(W) |
|
Al5Mo |
CEF (ST2) |
(5)(1) |
(Al)(Mo) |
|
Al63Mo37 |
CEF (ST2) |
(63)(37) |
(Al)(Mo) |
|
Al69Ta39 |
CEF (SLN) |
(0.6389)(0.3611) |
(Al,Ta)(Al,Ta) |
|
Al6Re |
CEF (ST2) |
(6)(1) |
(Al)(Re) |
|
Al77W23 |
CEF (ST2) |
(77)(23) |
(Al)(W) |
|
Al7V |
CEF (ST2) |
(7)(1) |
(Al)(V) |
|
Al7W3 |
CEF (ST2) |
(7)(3) |
(Al)(W) |
|
Al8Cr5_H |
CEF (ST2) |
(8)(5) |
(Al)(Cr) |
|
Al8Cr5_L |
CEF (ST2) |
(8)(5) |
(Al)(Cr) |
|
Al8Mo3 |
CEF (ST2) |
(8)(3) |
(Al)(Mo) |
|
Al8V5 |
CEF (ST2) |
(8)(5) |
(Al)(V) |
|
Al9Cr4_H |
CEF (ST2) |
(9)(4) |
(Al)(Cr) |
|
Al9Cr4_L |
CEF (ST2) |
(9)(4) |
(Al)(Cr) |
|
AlCr2 |
CEF (ST2) |
(1)(2) |
(Al)(Cr) |
|
AlHf |
CEF (ST2) |
(0.5)(0.5) |
(Al)(Hf) |
|
AlHf2 |
CEF (ST2) |
(0.33333)(0.66667) |
(Al)(Hf) |
|
AlMo3 |
CEF (SLN) |
(1)(3) |
(Al,Mo)(Al,Mo) |
|
AlRe |
CEF (ST2) |
(1)(1) |
(Al)(Re) |
|
AlRe2 |
CEF (ST2) |
(1)(2) |
(Al)(Re) |
|
AlZr |
CEF (ST2) |
(1)(1) |
(Al)(Zr) |
|
AlZr2 |
CEF (ST2) |
(1)(2) |
(Al)(Zr) |
|
AlZr3 |
CEF (ST2) |
(1)(3) |
(Al)(Zr) |
|
B2 |
CEF (SLN) |
(0.5)(0.5) |
(Fe,Ta,Ti,W)(Fe,Ta,Ti,W,Va) |
|
BCC_B2 |
CEF (SLN) |
(0.5)(0.5)(3) |
(Al,Cr,Fe,Si,Ti)(Al,Cr,Fe,Si,Ti)(Va) |
|
BETA_VO |
CEF (SLN) |
(1)(1) |
(V)(O,Va) |
|
BRONZE |
CEF (SLN) |
(2)(5)(1) |
(V+4,V+5)(O-2)(Va) |
|
Bcc |
CEF (SLN) |
(1)(3) |
(Al,Cr,Fe,Hf,Mo,Nb,Re,Si,Ta,Ti,V,W,Zr) |
|
Chi_A12 |
CEF (SLN) |
(24)(10)(24) |
(Cr,Fe,Re)(Cr,Mo,Nb,Re,Ta,Ti,W,Zr) |
|
Corundum |
CEF (SLN) |
(2)(1)(3) |
(Al+3,Cr+2,Cr+3,Fe+2,Fe+3,Ti+3, |
|
Cr4Si3 |
CEF (ST2) |
(4)(3) |
(Cr)(Si) |
|
CrHfSi |
CEF (ST3) |
(1)(1)(1) |
(Cr)(Hf)(Si) |
|
CrNbSi_T1 |
CEF (SLN) |
(6)(5) |
(Cr,Nb)(Si) |
|
CrNbSi_T2 |
CEF (SLN) |
(11)(8) |
(Cr,Nb)(Si) |
|
CrNbSi_T3 |
CEF (ST3) |
(1)(1)(1) |
(Cr)(Nb)(Si) |
|
CrSi |
CEF (SLN) |
(1)(1) |
(Cr,Fe,V)(Si) |
|
Cristobalite |
CEF (ST2) |
(1)(2) |
(Si)(O) |
|
D0_22_Al3Ta |
CEF (SLN) |
(0.75)(0.25) |
(Al)(Al,Ta) |
|
DO22 |
CEF (SLN) |
(0.25)(0.75) |
(Al,Cr,Nb,Ti)(Al,Cr,Si,Ti) |
|
Diamond_A4 |
CEF (SLN) |
(1) |
(Al,Si,Ti) |
|
Fcc |
CEF (SLN) |
(1)(1) |
(Al,Cr,Fe,Hf,Mo,Nb,Re,Si,Ta,Ti,V,W,Zr) |
|
Fe2Hf_C14 |
CEF (SLN) |
(0.6667)(0.3333) |
(Fe)(Fe,Hf) |
|
Fe2Hf_C15 |
CEF (ST2) |
(0.6667)(0.3333) |
(Fe)(Hf) |
|
Fe2Hf_C36 |
CEF (ST2) |
(0.6667)(0.3333) |
(Fe)(Hf) |
|
Fe2Si |
CEF (ST2) |
(2)(1) |
(Fe)(Si) |
|
Fe2Ta3 |
CEF (SLN) |
(2)(3) |
(Fe,Ta)(Fe,Ta) |
|
Fe2Zr_C15 |
CEF (SLN) |
(2)(1) |
(Fe,Zr)(Fe,Zr) |
|
Fe2Zr_C36 |
CEF (SLN) |
(2)(1) |
(Fe,Zr)(Fe,Zr) |
|
Fe4Re |
CEF (SLN) |
(4)(1) |
(Fe,Re)(Fe,Re) |
|
FeHf2 |
CEF (ST2) |
(0.3333)(0.6667) |
(Fe)(Hf) |
|
FeSi2_H |
CEF (ST2) |
(3)(7) |
(Fe)(Si) |
|
FeSi2_L |
CEF (ST2) |
(1)(2) |
(Fe)(Si) |
|
FeZr2 |
CEF (SLN) |
(1)(2) |
(Al,Fe,Zr)(Zr) |
|
FeZr3 |
CEF (SLN) |
(1)(3) |
(Al,Fe,Zr)(Fe,Zr) |
|
GAS |
GAS |
(1) |
(Al,AlO,AlO2,Al2,Al2O,Al2O2,Al2O3,Fe,FeO, |
|
Halite |
CEF (SLN) |
(1)(1) |
(Al+3,Cr+3,Fe+2,Fe+3,V,V+2,V+3,Va) |
|
Hcp |
CEF (SLN) |
(1)(0.5) |
(Al,Cr,Fe,Hf,Mo,Nb,Re,Si,Ta,Ti,V,W,Zr) |
|
Hf2Si |
CEF (SLN) |
(0.666667)(0.333333) |
(Cr,Hf,Nb,Ti,Zr)(Si) |
|
Hf3Si2 |
CEF (SLN) |
(0.6)(0.4) |
(Cr,Hf,Nb,Zr)(Si) |
|
Hf5Si4 |
CEF (SLN) |
(0.555556)(0.444444) |
(Cr,Hf,Mo,Nb,Ti,Zr)(Si) |
|
HfSi |
CEF (SLN) |
(0.5)(0.5) |
(Cr,Hf,Nb,Ti,Zr)(Al,Si) |
|
HfSi2 |
CEF (SLN) |
(0.333333)(0.666667) |
(Cr,Hf,Zr)(Si) |
|
HfSiO4 |
CEF (ST3) |
(1)(1)(4) |
(Hf)(Si)(O) |
|
Laves_C14 |
CEF (SLN) |
(2)(1) |
(Al,Cr,Fe,Hf,Mo,Nb,Re,Si,Ta,Ti,V,Zr) |
|
Laves_C15 |
CEF (SLN) |
(2)(1) |
(Al,Cr,Hf,Mo,Nb,Ta,Ti,V,W,Zr) |
|
Laves_C36 |
CEF (SLN) |
(2)(1) |
(Cr,Zr)(Cr,Zr) |
|
Liquid |
CEF (SLN) |
(1) |
(Al,Cr,Fe,Hf,Mo,Nb,O,Re,Si,Ta,Ti,V,W,Zr, |
|
M11Si8 |
CEF (SLN) |
(11)(8) |
(Cr,V)(Si) |
|
M6Si5 |
CEF (SLN) |
(6)(5) |
(Cr,Ti)(Si) |
|
MSi2 |
CEF (SLN) |
(1)(2) |
(Cr,Hf,Mo,Nb,Si,Ti,V)(Al,Cr,Si) |
|
Mo2Hf |
CEF (SLN) |
(2)(1) |
(Hf,Mo)(Hf,Mo) |
|
Mo4O11 |
CEF (ST2) |
(0.266667)(0.733333) |
(Mo)(O) |
|
Mo4Si9Ti7 |
CEF (SLN) |
(0.55)(0.45) |
(Mo,Ti)(Si) |
|
Mo5Si3 |
CEF (SLN) |
(0.625)(0.375) |
(Cr,Fe,Hf,Mo,Nb,Si,Ti,W,Zr)(Al,Mo,Nb,Si) |
|
Mo8O23 |
CEF (ST2) |
(0.258064)(0.741935) |
(Mo)(O) |
|
Mo9O26 |
CEF (ST2) |
(0.257143)(0.742857) |
(Mo)(O) |
|
MoO3 |
CEF (ST2) |
(1)(3) |
(Mo)(O) |
|
MoSi2 |
CEF (SLN) |
(1)(2) |
(Mo,Nb,W)(Si) |
|
MoSi6Ti2 |
CEF (SLN) |
(1)(2) |
(Mo,Ti)(Si) |
|
Mu_Phase |
CEF (SLN) |
(1)(2)(4)(6) |
(Fe,Mo,Nb,Ta,W)(Fe,Mo,Nb,Ta,W) |
|
Nb2O5 |
CEF (ST2) |
(2)(5) |
(Nb)(O) |
|
Nb3Si |
CEF (SLN) |
(0.75)(0.25) |
(Hf,Nb,Ti,Zr)(Al,Si) |
|
Nb5Si3 |
CEF (SLN) |
(0.625)(0.375) |
(Cr,Hf,Nb,Ti,V,Zr)(Al,Si) |
|
Nb9Si2Cr3 |
CEF (SLN) |
(0.643)(0.143)(0.214) |
(Nb)(Si)(Cr,Si) |
|
NbO |
CEF (ST2) |
(1)(1) |
(Nb)(O) |
|
NbO2 |
CEF (ST2) |
(1)(2) |
(Nb)(O) |
|
Phi |
CEF (SLN) |
(0.8837)(1.1163) |
(Al,Ta)(Al,Ta) |
|
Quartz |
CEF (ST2) |
(1)(2) |
(Si)(O) |
|
R_Phase |
CEF (SLN) |
(27)(14)(12) |
(Fe)(Mo)(Fe,Mo) |
|
Re2O7 |
CEF (ST2) |
(2)(7) |
(Re)(O) |
|
Re2Si |
CEF (ST2) |
(2)(1) |
(Re)(Si) |
|
ReO2 |
CEF (ST2) |
(1)(2) |
(Re)(O) |
|
ReO3 |
CEF (ST2) |
(1)(3) |
(Re)(O) |
|
ReSi |
CEF (ST2) |
(0.5)(0.5) |
(Re)(Si) |
|
ReSi2 |
CEF (SLN) |
(1)(2) |
(Re)(Si,Va) |
|
Rutile |
CEF (SLN) |
(1)(2) |
(Ti+3,Ti+4,V+4)(O-2,Va) |
|
Si2Ta |
CEF (ST2) |
(0.6667)(0.3333) |
(Si)(Ta) |
|
Si2Ti |
CEF (SLN) |
(2)(1) |
(Al,Si)(Cr,Mo,Nb,Ti) |
|
Si3Ta5_HT |
CEF (ST2) |
(0.375)(0.625) |
(Si)(Ta) |
|
Si3Ta5_LT |
CEF (ST2) |
(0.375)(0.625) |
(Si)(Ta) |
|
Si3Ti5 |
CEF (SLN) |
(3)(5) |
(Si)(Cr,Fe,Hf,Mo,Nb,Ti,V,Zr) |
|
Si5V6 |
CEF (SLN) |
(0.454545)(0.545455) |
(Si)(Cr,V) |
|
SiO_AM |
CEF (ST2) |
(1)(1) |
(Si)(O) |
|
SiTa2 |
CEF (ST2) |
(0.3333)(0.6667) |
(Si)(Ta) |
|
SiTa3 |
CEF (ST2) |
(0.25)(0.75) |
(Si)(Ta) |
|
Sigma |
CEF (SLN) |
(8)(4)(18) |
(Al,Fe,Re,Si,Ta,Ti)(Cr,Fe,Mo,Nb,Ta,V,W) |
|
Spinel |
CEF (SLN) |
(1)(2)(2)(4) |
(Al+3,Cr+2,Cr+3,Fe+2,Fe+3) |
|
Ta2O5_S |
CEF (SLN) |
(1) |
(Ta,Ta2O5) |
|
Ta2O5_S2 |
CEF (SLN) |
(1) |
(Ta,Ta2O5) |
|
Ti10O19 |
CEF (ST2) |
(10)(19) |
(Ti)(O) |
|
Ti20O39 |
CEF (ST2) |
(20)(39) |
(Ti)(O) |
|
Ti2Al5 |
CEF (SLN) |
(2)(5) |
(Nb,Ti)(Al) |
|
Ti2AlNb |
CEF (SLN) |
(0.75)(0.25) |
(Nb,Ti)(Al) |
|
Ti3Al |
CEF (SLN) |
(0.75)(0.25) |
(Al,Nb,Ti)(Al,Nb,Ti) |
|
Ti3Al2Si5 |
CEF (ST3) |
(1)(0.6)(1.4) |
(Ti)(Al)(Si) |
|
Ti3O2 |
CEF (ST2) |
(3)(2) |
(Ti)(O) |
|
Ti3O5 |
CEF (ST2) |
(3)(5) |
(Ti)(O) |
|
Ti4Al3Nb |
CEF (ST3) |
(0.5)(0.375)(0.125) |
(Ti)(Al)(Nb) |
|
Ti4O7 |
CEF (ST2) |
(4)(7) |
(Ti)(O) |
|
Ti5O9 |
CEF (ST2) |
(5)(9) |
(Ti)(O) |
|
Ti6O11 |
CEF (ST2) |
(6)(11) |
(Ti)(O) |
|
Ti7Al5Si14 |
CEF (ST3) |
(7)(5)(14) |
(Ti)(Al)(Si) |
|
Ti7O13 |
CEF (ST2) |
(7)(13) |
(Ti)(O) |
|
Ti8O15 |
CEF (ST2) |
(8)(15) |
(Ti)(O) |
|
Ti9O17 |
CEF (ST2) |
(9)(17) |
(Ti)(O) |
|
TiAl |
CEF (SLN) |
(0.5)(0.5) |
(Al,Nb,Ti)(Al,Nb,Ti) |
|
TiAl2 |
CEF (SLN) |
(1)(2) |
(Nb,Ti)(Al) |
|
TiOx |
CEF (SLN) |
(1)(1)(1) |
(Ti+2,Ti+3,Va)(Ti,Va)(O-2) |
|
Tridymite |
CEF (ST2) |
(1)(2) |
(Si)(O) |
|
V2O5 |
CEF (ST2) |
(2)(5) |
(V)(O) |
|
V2O_SS |
CEF (SLN) |
(1)(0.5) |
(V)(O,Va) |
|
V2Zr |
CEF (ST2) |
(2)(1) |
(V)(Zr) |
|
V3O5_HT |
CEF (ST2) |
(2)(1)(5) |
(V+3)(V+4)(O-2) |
|
V3O5_LT |
CEF (ST2) |
(2)(1)(5) |
(V+3)(V+4)(O-2) |
|
V3O7 |
CEF (ST2) |
(2)(1)(7) |
(V+5)(V+4)(O-2) |
|
V4O7 |
CEF (ST2) |
(2)(2)(7) |
(V+3)(V+4)(O-2) |
|
V52O64 |
CEF (ST2) |
(52)(64) |
(V)(O) |
|
V5O9 |
CEF (ST2) |
(2)(3)(9) |
(V+3)(V+4)(O-2) |
|
V6O11 |
CEF (ST2) |
(2)(4)(11) |
(V+3)(V+4)(O-2) |
|
V6O13 |
CEF (ST2) |
(2)(4)(13) |
(V+5)(V+4)(O-2) |
|
V7O13 |
CEF (ST2) |
(2)(5)(13) |
(V+3)(V+4)(O-2) |
|
V8O15 |
CEF (ST2) |
(2)(6)(15) |
(V+3)(V+4)(O-2) |
|
VO2 |
CEF (SLN) |
(1)(2) |
(Hf,Mo,V,W,Zr)(O) |
|
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) |
|
Y2O3_hex |
CEF (SLN) |
(2)(3)(1) |
(Zr+4)(O-2)(O-2,Va) |
|
Zr21Re25 |
CEF (SLN) |
(0.5435)(0.4565) |
(Re)(Hf,Zr) |
|
Zr2O |
CEF (ST2) |
(2)(1) |
(Zr)(O) |
|
Zr3O |
CEF (ST2) |
(3)(1) |
(Zr)(O) |
|
Zr6O |
CEF (ST2) |
(6)(1) |
(Zr)(O) |
|
ZrO2_Cubic |
CEF (SLN) |
(1)(2) |
(Hf,Zr)(O,Va) |
|
ZrO2_Tetragonal |
CEF (SLN) |
(1)(2) |
(Hf,Zr)(O,Va) |