TCZR1 Models for the Included Phases
| Name | Prototype | Pearson | Spacegroup | Sublattice | Notes |
|---|---|---|---|---|---|
| BCC_A2 | W | cI2 | Im-3m | (Cr, Fe, Nb, Ni, Sn, Va, Zr)1(H, O, Va)3 | |
| BCT_A5 | Sn | tI4 | I4_1/amd | (Sn) | |
| C14_LAVES | MgZn2 | hP12 | P6_3/mmc | (Cr, Fe, Nb, Ni, Sn, Zr)1 (Cr, Fe, Nb,Ni, Sn, Zr)2 | >Cr2Zr_ht, Fe2Nb, |
| C15_LAVES | MgCu2 | cF24 | Fd-3m | (Cr, Fe, Nb, Ni, Sn, Zr)1 (Cr, Fe, Nb, Ni, Sn, Zr)2 | > Cr2Nb, Cr2Zr, Fe2Zr |
| C16_THETA | Al2Cu | tI12 | I4/mcm | (Cr, Fe, Ni)1(Nb, Zr)2 | >FeZr2, NiZr2 |
| C36_LAVES | MgNi2 | hP24 | P6_3/mmc | (Cr, Fe, Nb, Ni, Sn, Zr)1 (Cr, Fe, Nb, Ni, Sn, Zr)2 | >(Fe,Nb,Sn)2Zr |
| CORUNDUM | Al2O3 | hR10 | R-3c | (Cr+2, Cr+3, Fe+2, Fe+3, Va)2(Cr+3, Fe+3, Ni+2, Va)1 (O-2)3 | >Cr2O3 |
| CR3SI_A15 | Cr3Si | cP8 | Pm-3n | (Cr, Fe, Nb, Ni, Sn, Zr)3 (Cr, Nb, Ni, Sn, Zr)1(Va)3 | >Nb3Sn, Zr3Sn |
| CRNI2_OP6 | MoPt2 | oI6 | Immm | (Cr)1(Ni)2 | |
| DELTA_TIH2 | CaF2 | cF12 | Fm-3m | (Nb, Zr)1(H, Va)2 | >NbH2 |
| DIS_MU | Fe7W6 | hR13 | R-3m | (Cr, Fe, Nb, Ni) | |
| DIS_SIG | CrFe | tP30 | P4_2/mnm | (Cr, Fe, Nb, Ni) | |
| EPS_ZRH2 | ThH2 | tI6 | I4/mmm | (Zr)1(H)2 | |
| FCC_A1 | Cu | cF4 | Fm-3m | (Cr, Fe, Nb, Ni, Sn, Zr)1(O, H, Va)1 | |
| FE1SN2 | CuAl2 | tI12 | I4/mcm | (Fe)1(Sn)2 | |
| FE3SN2 | Fe3Sn2 | hR10 | R-3m | (Fe)3(Sn)2 | |
| FE5SN3 | Co1.75Ge | hP6 | P6_3/mmc | (Fe)5(Sn)3 | |
| FESN | CoSn | hP6 | P6/mmm | (Fe)1(Sn)1 | |
| FE23ZR6 | Th6Mn23 | cF116 | Fm-3m | (Fe, Ni, Zr)0.7931(Zr, Fe)0.2069 | |
| FENBZR_TAO1 | MgZn2 | hP16 | P6_3/mmc | (Fe, Nb, Zr)2(Fe, Nb, Zr)1 | |
| FE6SN6ZR | HfFe6Ge6 | hP13 | P6/mmm | (Fe)0.5(Sn)0.43(Zr)0.07 | |
| FLUORITE_C1 | CaF2 | cF12 | Fm-3m | (Cr+3, Fe+2, Ni+2, Zr, Zr+4)2 (O-2, Va)4 | |
| GAMMA_ZRH | PtS | tP4 | P42/mmc | (Zr)1(H)1 | |
| GAS | (Cr, Cr1O1, Cr1O2, Cr1O3, Cr2, Cr2O1, Cr2O2, Cr2O3, Fe, Fe1O1, Fe1O2, Fe2, H, H2, H2O1, H2O2, Nb, Nb1O1, Nb1O2, Ni, Ni1O1, Ni2, O, O1Sn1, O1Zr1, O2, O2Sn1, O2Sn2, O2Zr1, O3, O4Sn4, O6Sn6, Sn, Zr, Zr2 | ||||
| HALITE | NaCl | cF8 | Fm-3m | (Cr+3, Fe+2, Fe+3, Ni+2, Ni+3, Va, Zr+4)1(O-2, Va)1 | |
| HCP_A3 | Mg | hP2 | P6_3/mmc | (Cr, Fe, Nb, Ni, Sn, Zr)1(H, O, Va)0.5 | |
| HF8NI21 | Hf8Ni21 | aP29 | P-1 | (Zr)8 (Fe, Ni)21 | >Ni21Zr8 |
| KWON | (Fe)3(Sn)9(Zr)20 | >Fe3Sn9Zr20 | |||
| L10_FCC | CuAu | tP20 | P4/mmm | (Ni)0.5(Ni)0.5 | |
| L12_FCC | Cu3Au | cP4 | Pm-3m | (Cr, Fe, Ni, Zr)0.75(Cr, Fe, Ni, Zr)0.25 | |
| LIQUID | (Cr, CrO, CrO1.5, Fe, FeO, FeO1.5, H, H2O1, H2O2, Nb, NbO, NbO2, NbO2.5, Ni, NiO, O, Sn, Sn0.5O, Zr, Zr0.5O) | ||||
| M5SI3_D88 | Mn5Si3 | hP16 | P6_3/mmc | (Zr)5(Sn)3(Ni, Sn,Va)1 | >Zr5Sn4, Zr5Sn3 |
| MU_PHASE | W6Fe7 | hR13 | R-3m |
(Cr, Fe, Nb, Ni)1(Cr, Fe, Nb, Ni)2 (Cr, Fe, Nb, Ni)6(Nb)4 |
>Fe7Nb6, Ni6Nb7 |
| MZR3_E1A | MgCuAl2 | oS16 | Cmcm | (Fe, Zr)1(Fe, Zr)3 | >FeZr3 |
| NB1O2 | NbO2 | tI96 | I4_1/a | (Nb)1(O)2 | |
| NB2O5 | Nb2O5 | mP99 | P2/m | (Nb)2(O)5 | |
| NBH_BETA | TaH0.5 | oS8 | C222 | (Nb)1(H, Va)1.1 | |
| NBNI8 | Pt8Ti | tI18 | I4/mmm | (Nb)1(Ni)8 | |
| NBO | NbO | cP6 | Pm-3m | (Nb)1(O)1 | |
| NBSN2 | Mg2Cu | oF48 | Fddd | (Nb)1(Sn)2 | |
| NI3SN2 | Ni3Sn2 | oP20 | Pnma | (Ni, Va)1(Ni, Va)1(Ni, Sn, Zr)1 | |
| NI3SN4 | Ni3Sn4 | mS14 | C2/m | (Ni)0.25(Ni, Sn) 0.25(Sn)0.5 | |
| NI3SN_LT | Mg3Cd | hP8 | P6_3/mmc | (Ni, Sn)0.75(Ni, Sn)0.25 | |
| NI2SNZR2 | U2SnPt2 | tP20 | P4_2/mnm | (Ni)2(Sn, Zr)1(Zr)2 | |
| NI2ZRSN | Cu2MnAl | cF16 | Fm-3m | (Ni)2(Zr)1(Sn)1 | |
| NISN2ZR6 | K2UF6 | hP9 | P-62m | (Ni)1(Sn, Zr)2(Zr)6 | |
| NISNZR | MgAgAs | cF12 | F-43m | (Ni)1(Sn)1(Zr)1 | |
| NI3TA_D0A | Cu3Ti | oP8 | Pmmn | (Cr, Fe, Nb, Ni)3(Fe, Nb, Ni)1 | >Ni3Nb |
| NI3ZR | Mg3Cd | hP8 | P6_3/mmc | (Ni)3(Zr)1 | |
| NI5ZR | Be5Au | cF24 | F-43m | (Fe, Ni, Sn, Zr)5(Zr,Va)1 | |
| NI7ZR2 | Ni7Zr2 | mS36 | C2/m | (Cr, Fe, Ni)7(Zr)2 | |
| NI10ZR7 | Ni10Zr7 | oS68 | Cmce | (Ni)10(Zr)7 | |
| NI11ZR9 | Ni11Zr9 | tI40 | I4/m | (Ni)11(Zr)9 | |
| NIZR | CrB | oC8 | Cmcm | (Ni)1(Zr)1 | |
| N_PHASE | Zr3FE4Sn4 | oP44 | Pnma | (Fe)16(Sn)16(Zr)12 | >Zr3Fe4Sn4 |
| ORD_SIG | Cr0.49Fe0.51 | tP30 | P4_2/mnm | (Cr, Fe, Nb, Ni)10(Cr, Fe, Nb, Ni)4(Cr, Fe, Nb, Ni)16 | |
| RUTILE_TIO2 | TiO2 | tP6 | P4_2/mnm | (Sn+4, Zr+4)1(O-2, Va-2)2 | |
| SN3O4 | Sn3O4 | mP14 | P2_1/c | (Sn)3(O)4 | |
| SNO | PbO | tP4 | P4/nmm | (Sn)1(O)1 | |
| SPINEL | Fe3O4 | cF56 | Fd-3m | (Cr+2, Cr+3, Fe+2, Fe+3, Ni+2)1(Cr+3, Fe+2, Fe+3, Ni+2, Va,)2 (Cr+2, Fe+2, Va)2 (O-2)4 | >Fe3O4 |
| THETA | K2UF6 | hP9 | P-62m | (Fe)1(Sn)2(Zr)6 | >FeSn2Zr6 |
| TISI2_C54 | TiSi2 | oF24 | Fddd | (Nb, Zr)1(Sn)2 | >ZrSn2 |
| TI6SN5 | Ti6Sn5 | oI44 | Immm | (Cr, Nb, Zr)6(Sn)5 | >Nb6Sn5 |
| XSECONDE | (Fe)8(Sn)20(Zr)18 | >Fe4Sn10Zr9 | |||
| XPRIME | (Fe)9(Sn)20(Zr)22 | >Fe9Sn20Zr22 | |||
| Y | (Fe)18(Sn)9(Zr)5 | >Fe19Sn9Zr5 | |||
| ZRNIO_T | (Ni)1(O, Zr)1(Zr)3 | ||||
| ZRO2_MONO | ZrO2 | tP6 | P42/nmc | (Cr+3, Zr+4)2 (O-2, Va)4 | |
| ZRO2_TETR | ZrO2-b | mP12 | P121/c1 | (Cr+3, Fe+2, Ni+2, Zr+4)2 (O-2, Va)4 |