PanNb2024: 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) (O,Va) |
| Chi_A12 | CEF (SLN) | (24)(10)(24) | (Cr,Fe,Re)(Cr,Mo,Nb,Re,Ta,Ti,W,Zr) (Cr,Fe,Mo,Nb,Re,Ta,W) |
| Corundum | CEF (SLN) | (2)(1)(3) | (Al+3,Cr+2,Cr+3,Fe+2,Fe+3,Ti+3, V+3,V+4,Va)(Cr+3,Fe+3,Va)(O-2) |
| 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) (O,Va) |
| 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, FeO2,Fe2,Hf,HfO,HfO2,O,O2,O3,Si,Si2,Si3, SiO,SiO2,Ti,TiO,TiO2,Zr,Zr2,ZrO,ZrO2) |
| Halite | CEF (SLN) | (1)(1) | (Al+3,Cr+3,Fe+2,Fe+3,V,V+2,V+3,Va) (O-2,Va) |
| Hcp | CEF (SLN) | (1)(0.5) | (Al,Cr,Fe,Hf,Mo,Nb,Re,Si,Ta,Ti,V,W,Zr) (O,Va) |
| 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) (Al,Cr,Fe,Hf,Mo,Nb,Re,Ta,Ti,V,W,Zr) |
| Laves_C15 | CEF (SLN) | (2)(1) | (Al,Cr,Hf,Mo,Nb,Ta,Ti,V,W,Zr) (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, Al2O3,Cr2/3O,FeO,FeO3/2,HfO2,MoO2, MoO3,NbO,NbO2,Nb2O5,SiO2,Ta2O5, TiO,TiO3/2,TiO2,VO,VO2,VO3/2,VO5/2, WO2,WO3,Zr1/2O) |
| 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) (Fe,Mo,Nb,Ta,Ti,W)(Fe,Mo,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) (Al,Cr,Fe,Mo,Nb,Re,Si,Ta,Ti,V,W) |
| 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) |
| 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) |