PanMo2024:List of All Phases

Phases (208)

Name Model Lattice Size Constituent
ABMo CEF (SLN) (0.5)(0.5) (Cr,Mo,Ti)(B,Va)
ALPHA_RHOMBO_B CEF (ST1) (1) (B)
A_TiO CEF (ST2) (1)(1) (Ti)(O)
Al11Cr2 CEF (ST2) (10)(1)(2) (Al)(Al)(Cr)
Al11Mn4 CEF (SLN) (11)(4) (Al)(Fe,Mn)
Al11Mn4_HT CEF (SLN) (29)(10) (Al,Mn)(Mn)
Al11Re4 CEF (ST2) (11)(4) (Al)(Re)
Al12Mn CEF (SLN) (12)(1) (Al)(Fe,Mn)
Al12Mo CEF (ST2) (0.923)(0.077) (Al)(Mo)
Al12Re CEF (ST2) (12)(1) (Al)(Re)
Al13Cr2 CEF (ST2) (13)(2) (Al)(Cr)
Al13Fe4 CEF (SLN) (0.6275)(0.235)(0.1375) (Al)(Fe,Mn)(Al,Si,Va)
Al15_FeMn3Si2 CEF (SLN) (16)(4)(1)(2) (Al)(Fe,Mn)(Si)(Al,Si)
Al1Fe1O3 CEF (ST3) (1)(1)(3) (Al+3)(Fe+3)(O-2)
Al2Fe CEF (SLN) (2)(1) (Al)(Fe,Mn)
Al2Hf CEF (ST2) (0.666667)(0.333333) (Al)(Hf)
Al2Hf3 CEF (ST2) (0.4)(0.6) (Al)(Hf)
Al2Ti CEF (ST2) (2)(1) (Al)(Ti)
Al2Zr CEF (SLN) (0.666667)(0.333333) (Al,Mo)(Zr)
Al2Zr3 CEF (ST2) (0.4)(0.6) (Al)(Zr)
Al3Hf CEF (ST2) (0.75)(0.25) (Al)(Hf)
Al3Hf2 CEF (ST2) (0.6)(0.4) (Al)(Hf)
Al3Hf4 CEF (ST2) (0.428571)(0.571429) (Al)(Hf)
Al3Ti CEF (SLN) (0.25)(0.75) (Al,Ti)(Al,Ti)
Al3Zr CEF (ST2) (0.75)(0.25) (Al)(Zr)
Al3Zr2 CEF (ST2) (0.6)(0.4) (Al)(Zr)
Al3Zr4 CEF (ST2) (0.42857)(0.57143) (Al)(Zr)
Al3Zr5 CEF (ST2) (0.375)(0.625) (Al)(Zr)
Al4C3 CEF (SLN) (4)(3) (Al,Mo,Si)(C)
Al4Cr CEF (ST2) (4)(1) (Al)(Cr)
Al4Mn CEF (SLN) (4)(1) (Al)(Fe,Mn)
Al4Mn_L CEF (ST2) (461)(107) (Al)(Mn)
Al4Mo CEF (SLN) (0.8)(0.2) (Al,Fe)(Mo)
Al4Mo3Ti3 CEF (ST3) (4)(3)(3) (Al)(Mo)(Ti)
Al4Re CEF (ST2) (4)(1) (Al)(Re)
Al4Zr5 CEF (ST2) (0.444444)(0.555556) (Al)(Zr)
Al5Fe2 CEF (SLN) (5)(2) (Al)(Fe,Mn)
Al5Fe4 CEF (SLN) (1) (Al,Fe,Mn)
Al5Mo CEF (ST2) (0.833)(0.167) (Al)(Mo)
Al5Ti2 CEF (ST2) (5)(2) (Al)(Ti)
Al63Mo37 CEF (ST2) (0.63)(0.37) (Al)(Mo)
Al6Re CEF (ST2) (6)(1) (Al)(Re)
Al6_FeMn CEF (SLN) (6)(1) (Al)(Fe,Mn)
Al8Cr5_H CEF (ST2) (8)(5) (Al)(Cr)
Al8Cr5_L CEF (ST2) (8)(5) (Al)(Cr)
Al8FeMnSi2 CEF (ST4) (16)(2)(2)(3) (Al)(Fe)(Mn)(Si)
Al8FeMo3 CEF (SLN) (8)(1)(3) (Al)(Al,Fe)(Mo)
Al8Mn5 CEF (SLN) (12)(5)(9) (Al)(Mn)(Al,Mn)
Al8Mo3 CEF (ST2) (0.727)(0.273) (Al)(Mo)
Al9Cr4_H CEF (ST2) (9)(4) (Al)(Cr)
Al9Cr4_L CEF (ST2) (9)(4) (Al)(Cr)
AlB12_Alpha CEF (ST2) (1)(12) (Al)(B)
AlCr2 CEF (ST2) (1)(2) (Al)(Cr)
AlHf CEF (ST2) (0.5)(0.5) (Al)(Hf)
AlHf2 CEF (ST2) (0.333333)(0.666667) (Al)(Hf)
AlMnSi_Beta CEF (SLN) (15)(1)(4)(6) (Al)(Si)(Al,Si)(Mn)
AlMoSi_C54 CEF (ST3) (0.434)(0.333)(0.233) (Al)(Mo)(Si)
AlRe CEF (ST2) (1)(1) (Al)(Re)
AlRe2 CEF (ST2) (1)(2) (Al)(Re)
AlTi CEF (SLN) (0.5)(0.5) (Al,Ti)(Al,Ti)
AlTi3 CEF (SLN) (0.75)(0.25) (Al,Ti)(Al,Ti)
AlZr CEF (ST2) (0.5)(0.5) (Al)(Zr)
AlZr2 CEF (ST2) (0.333333)(0.666667) (Al)(Zr)
AlZr3 CEF (ST2) (0.25)(0.75) (Al)(Zr)
Alpha-Mn2B CEF (ST2) (0.670691)(0.329309) (Mn)(B)
Alpha_AlFeSi CEF (SLN) (0.66)(0.19)(0.05)(0.1) (Al)(Fe)(Si)(Al,Si)
B2 CEF (SLN) (1)(1) (Al,Cr,Fe,Hf,Mn,Mo,Re,Si,Ti)
(Al,Cr,Fe,Hf,Mn,Mo,Re,Si,Ti,Va)
B2O3 CEF (ST2) (2)(3) (B)(O)
B3Si CEF (SLN) (6)(2)(6) (B)(Si)(B,Si)
B4C CEF (SLN) (1)(1) (B12,B11C)(B2,B2C,BC2)
B4Mo CEF (ST2) (0.8)(0.2) (B)(Mo)
B5Mo2 CEF (SLN) (2)(5) (Mo)(B,Va)
B6Si CEF (SLN) (210)(23)(48) (B)(Si)(B,Si)
BETA_RHOMBO_B CEF (SLN) (93)(12) (B,Re)(B,Mn,Si,Zr)
BMo CEF (SLN) (0.5)(0.5) (B)(Mo,Ti)
B_NSi CEF (SLN) (61)(1)(8) (B)(Si)(B,Si)
Bcc CEF (SLN) (1)(3) (Al,B,Cr,Fe,Hf,Mn,Mo,Re,Si,Ti,Zr)
(B,C,O,Va)
Bcc_B2 CEF (SLN) (0.5)(0.5)(3) (Al,Fe,Si)(Al,Fe,Si)(Va)
Beta_AlFeSi CEF (SLN) (0.598)(0.152)(0.1)(0.15) (Al)(Fe,Mn)(Si)(Al,Si)
CBCC_A12 CEF (SLN) (1)(1) (Al,Cr,Fe,Mn,Mo,Re,Si,Ti,Zr)(C,Va)
CUB_A13 CEF (SLN) (1)(1) (Al,Cr,Fe,Hf,Mn,Mo,Si,Ti,Zr)(C,Va)
Cementite CEF (SLN) (3)(1) (Cr,Fe,Mo)(C)
Chi_A12 CEF (SLN) (24)(10)(24) (Cr,Fe,Re)(Cr,Mo,Re)(Cr,Fe,Mo,Re)
Corundum CEF (SLN) (2)(1)(3) (Al+3,Cr+2,Cr+3,Fe+2,Fe+3,Ti+3,Va)
(Cr+3,Fe+3,Va)(O-2)
Cr3B4 CEF (ST2) (0.429)(0.571) (Cr)(B)
Cr3Mn5 CEF (ST2) (3)(5) (Cr)(Mn)
Cr5B3 CEF (ST2) (0.625)(0.375) (Cr)(B)
CrB CEF (ST2) (0.5)(0.5) (Cr)(B)
CrB2 CEF (SLN) (0.333)(0.667) (Cr)(B,Va)
CrB4 CEF (ST2) (0.2)(0.8) (Cr)(B)
CrSi CEF (ST2) (0.5)(0.5) (Cr)(Si)
CrSi2 CEF (ST2) (1)(2) (Cr)(Si)
Cristobalite CEF (ST2) (1)(2) (Si)(O)
DISORDER CEF (SLN) (1) (Al,Cr)
Delta CEF (SLN) (3)(1) (Al,Cr,Fe,Mo,Re,Ti)(Al,Cr,Fe,Hf,Mo,Ti)
Diamond CEF (SLN) (1) (Al,B,C,Si,Ti)
Eta CEF (SLN) (0.75)(0.25) (Fe,Ti)(Al,Cr,Hf,Mo,Ti)
Fcc CEF (SLN) (1)(1) (Al,B,Cr,Fe,Hf,Mn,Mo,Re,Si,Ti,Zr)
(B,C,O,Va)
Fe23Zr6 CEF (ST2) (0.793)(0.207) (Fe)(Zr)
Fe2Si CEF (ST2) (0.666667)(0.333333) (Fe)(Si)
Fe4Re CEF (SLN) (4)(1) (Fe,Re)(Fe,Re)
Fe5Si3 CEF (ST2) (0.625)(0.375) (Fe)(Si)
FeHf2 CEF (ST2) (0.3333)(0.6667) (Fe)(Hf)
FeMo3Si CEF (ST3) (1)(3)(1) (Fe)(Mo)(Si)
FeSi CEF (ST2) (0.5)(0.5) (Fe)(Si)
FeSi2_H CEF (ST2) (3)(7) (Fe)(Si)
FeSi2_L CEF (ST2) (1)(2) (Fe)(Si)
FeZr2 CEF (SLN) (1)(2) (Fe,Zr)(Fe,Zr)
FeZr3 CEF (SLN) (1)(3) (Fe,Zr)(Fe,Zr)
GAS GAS (1) (B,B2,Mn,Mo,MO2,Re,Si,Si2,Si3,Al,
AlO,AlO2,Al2,Al2O,Al2O2,Al2O3,
C1O1,C1O2,Fe,FeO,FeO2,Fe2,Hf,
HfO,HfO2,O,O2,O3,SiO,SiO2,
Ti,TiO,TiO2,Zr,Zr2,ZrO,ZrO2)
Gamma_AlFeSi CEF (ST3) (0.635)(0.205)(0.16) (Al)(Fe)(Si)
Graphite CEF (SLN) (1) (B,C)
H_Sigma CEF (SLN) (8)(4)(18) (Mn)(Cr)(Cr,Mn)
Halite CEF (SLN) (1)(1) (Al+3,Cr+3,Fe+2,Fe+3,Mn+2,Mn+3,Va)
(O-2,Va)
Hcp CEF (SLN) (1)(0.5) (Al,Cr,Fe,Hf,Mn,Mo,Re,Si,Ti,Zr)
(B,C,O,Va)
HfMn CEF (ST2) (0.5)(0.5) (Hf)(Mn)
HfMn2 CEF (SLN) (1)(2) (Hf,Mn)(Hf,Mn)
HfSiO4 CEF (ST3) (1)(1)(4) (Hf)(Si)(O)
L10_FCC CEF (SLN) (0.5)(0.5) (Al,Ti)(Al,Ti)
L12_FCC CEF (SLN) (0.75)(0.25) (Al,Cr)(Al,Cr)
Laves_C14 CEF (SLN) (2)(1) (Al,Cr,Fe,Hf,Mo,Ti,Zr)
(Al,Cr,Fe,Hf,Mo,Ti,Zr)
Laves_C15 CEF (SLN) (2)(1) (Al,Cr,Fe,Hf,Mo,Ti,Zr,Si)
(Al,Cr,Fe,Hf,Mo,Ti,Zr)
Laves_C36 CEF (SLN) (2)(1) (Cr,Zr)(Cr,Zr)
Liquid CEF (SLN) (1) (Al,B,C,Cr,Fe,Hf,Mn,Mo,Re,Si,Ti,
Zr,O,Al2O3,B2O3,Cr2/3O,FeO,
FeO3/2,HfO2,MnO,Mn2/3O,
MoO2,MoO3,SiO2,TiO,TiO3/2,
TiO2,Zr1/2O)
M23C6 CEF (SLN) (23)(6) (Cr,Fe,Mn,Mo)(C)
M2B_Ti12 CEF (SLN) (0.333)(0.667) (B,Si)(Cr,Fe,Hf,Mn,Mo,Re,Ti,Zr)
M3B2 CEF (SLN) (2)(3) (B,Si)(Fe,Mn,Mo,Hf,Zr)
M3B4 CEF (SLN) (4)(3) (B)(Hf,Mn,Ti)
M3C2 CEF (SLN) (3)(2) (Cr,Mo)(C)
M7C3 CEF (SLN) (7)(3) (Cr,Fe,Mn,Mo,Re)(C)
MB2_HP3 CEF (SLN) (1)(2) (Al,Cr,Hf,Mn,Mo,Ti,Zr)(B,Va)
MB_OP8 CEF (SLN) (1)(1) (B,Si)(Fe,Hf,Mn,Mo,Ti,Zr)
MSi2_C11b CEF (SLN) (0.333)(0.667) (Mo,Re)(Al,Si,Va)
MSi2_Ti6 CEF (SLN) (1)(2) (Mo,Re)(Al,Si,Va)
Mn11Si19 CEF (ST2) (11)(19) (Mn)(Si)
Mn3C CEF (ST2) (3)(1) (Mn)(C)
Mn3O4_A CEF (ST2) (3)(4) (Mn)(O)
Mn3O4_B CEF (ST2) (3)(4) (Mn)(O)
Mn3Si CEF (ST2) (3)(1) (Mn)(Si)
Mn5C2 CEF (ST2) (5)(2) (Mn)(C)
Mn6Si CEF (ST2) (17)(3) (Mn)(Si)
Mn9Si2 CEF (ST2) (33)(7) (Mn)(Si)
MnB4 CEF (ST2) (0.2)(0.8) (Mn)(B)
Mo2BC CEF (ST3) (2)(1)(1) (Mo)(B)(C)
Mo2Fe21C6 CEF (ST3) (2)(21)(6) (Mo)(Fe)(C)
Mo2Hf CEF (SLN) (2)(1)(1) (Hf,Mo,Si)(Hf,Mo)(C,Va)
Mo2Mn4C CEF (ST3) (2)(4)(1) (Mo)(Mn)(C)
Mo3Al2C CEF (ST3) (3)(2)(1) (Mo)(Al)(C)
Mo3M3C CEF (SLN) (3)(3)(1) (Mo)(Fe,Mn)(C)
Mo3Si CEF (SLN) (0.75)(0.25) (Cr,Fe,Hf,Mo,Re,Si,Ti,Zr)
(Al,Cr,Fe,Re,Si)
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,Mo,Re,Si,Ti,Zr)(Al,B,Mo,Si)
Mo5Si3C CEF (ST3) (4.8)(3)(0.6) (Mo)(Si)(C)
Mo5SiB2 CEF (SLN) (0.625)(0.125)(0.25) (Fe,Hf,Mn,Mo,Re,Ti,Zr)(B,Si)(B)
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)
MoSi6Ti2 CEF (SLN) (1)(2) (Mo,Ti)(Si)
MoSiZr CEF (SLN) (1)(1)(1) (Mo)(Si)(Hf,Mo,Zr)
Mu_Phase CEF (SLN) (7)(2)(4) (Al,Cr,Fe,Mn,Mo,Re,Si)(Cr,Mo,Re,Ti)
(Cr,Fe,Mo,Re,Ti)
P_PHASE CEF (SLN) (24)(12)(20) (Cr,Fe,Re)(Mo)(Cr,Fe,Mo,Re)
Quartz CEF (ST2) (1)(2) (Si)(O)
R_Phase CEF (SLN) (27)(14)(12) (Cr,Fe,Si)(Mo)(Cr,Fe,Mo)
Re24Ti5 CEF (ST2) (24)(5) (Re)(Ti)
Re2O7 CEF (ST2) (2)(7) (Re)(O)
Re2Si CEF (ST2) (2)(1) (Re)(Si)
Re3B CEF (SLN) (0.75)(0.25) (Mo,Re)(B)
Re7B3 CEF (SLN) (0.3)(0.7) (B)(Mo,Re)
ReB2 CEF (SLN) (1)(2) (B,Re)(B)
ReO2 CEF (ST2) (1)(2) (Re)(O)
ReO3 CEF (ST2) (1)(3) (Re)(O)
ReSi CEF (SLN) (1)(1) (Mn,Re)(Si)
ReTi CEF (ST2) (1)(1) (Re)(Ti)
Rutile CEF (SLN) (1)(2) (Mn+4,Ti+3,Ti+4)(O-2,Va)
Shp_MC CEF (ST2) (1)(1) (Mo)(C)
Si2Ti CEF (SLN) (2)(1) (Si)(Mo,Ti)
Si2Zr CEF (SLN) (2)(1) (Si)(Hf,Zr)
Si3Ti5 CEF (SLN) (0.375)(0.625) (Si)(Hf,Mn,Mo,Ti,Zr)
Si4Ti5 CEF (SLN) (4)(5) (Si)(Hf,Mo,Ti,Zr)
SiC CEF (ST2) (1)(1) (C)(Si)
SiO_AM CEF (ST2) (1)(1) (Si)(O)
SiTi3 CEF (SLN) (1)(3) (Si)(Ti,Zr)
Sigma CEF (SLN) (10)(4)(16) (Al,Fe,Mn,Re,Si)(Cr,Fe,Mo,Re)
(Al,Cr,Fe,Mn,Mo,Re,Si)
Spinel CEF (SLN) (1)(2)(2)(4) (Al+3,Cr+2,Cr+3,Fe+2,Fe+3)
(Al+3,Cr+3,Fe+2,Fe+3,Va)
(Fe+2,Va)(O-2)
T_AlFeMo CEF (SLN) (1) (Al,Fe,Mo)
Ti10O19 CEF (ST2) (10)(19) (Ti)(O)
Ti20O39 CEF (ST2) (20)(39) (Ti)(O)
Ti3O2 CEF (ST2) (3)(2) (Ti)(O)
Ti3O5 CEF (ST2) (3)(5) (Ti)(O)
Ti4O7 CEF (ST2) (4)(7) (Ti)(O)
Ti5O9 CEF (ST2) (5)(9) (Ti)(O)
Ti6O11 CEF (ST2) (6)(11) (Ti)(O)
Ti6Si2B CEF (ST3) (6)(2)(1) (Ti)(Si)(B)
Ti7O13 CEF (ST2) (7)(13) (Ti)(O)
Ti8O15 CEF (ST2) (8)(15) (Ti)(O)
Ti9O17 CEF (ST2) (9)(17) (Ti)(O)
TiOx CEF (SLN) (1)(1)(1) (Ti+2,Ti+3,Va)(Ti,Va)(O-2)
Tridymite CEF (ST2) (1)(2) (Si)(O)
VO2 CEF (SLN) (1)(2) (Hf,Mo,Zr)(O)
Y2O3_cub CEF (SLN) (2)(3)(1) (Mn+3,Va)(O-2)(O-2,Va)
Y2O3_hex CEF (SLN) (2)(3)(1) (Zr+4)(O-2)(O-2,Va)
Zr2O CEF (ST2) (2)(1) (Zr)(O)
Zr3O CEF (ST2) (3)(1) (Zr)(O)
Zr6O CEF (ST2) (6)(1) (Zr)(O)
ZrB12 CEF (ST2) (1)(12) (Zr)(B)
ZrO2_Cubic CEF (SLN) (1)(2) (Hf,Zr)(O,Va)
ZrO2_Tetragonal CEF (SLN) (1)(2) (Hf,Zr)(O,Va)