PanTiAl2024: 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, C1O1,C1O2,Mn,O,O2,O3,Sn,Sn2, SnO,SnO2,Si,Si2,Si3,SiO,SiO2, Ti,TiO,TiO2,Zr,Zr2,ZrO,ZrO2) |
| 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, Ta,Ti,V,W,Zr,Al2O3,Cr2O3,MnO, Mn2/3O,NbO,NbO2,Nb2O5,SiO2, SnO,SnO2,Ta2O5,WO2,WO3,Zr1/2O) |
| 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) |