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Layered structures

Structure id Formula Space group Crystal system Ehull (meV/atom) Band gap (eV) Is vdw?
s-6 KCa2Tl P4/mmm tetragonal 74.33 0.00 False
s-85 LaY2Ga2Sn4 P-4m2 tetragonal 32.49 0.00 False
s-115 CaMnCuBiSe2O2 Pmm2 orthorhombic 56.43 0.34 False
s-118 MnCuBiPbSe2O2 Pmm2 orthorhombic 86.60 0.16 False
s-163 As2Ir2Pb2O2 P4/nmm tetragonal 64.50 0.00 False
s-259 SrCa2Tl P4/mmm tetragonal 10.12 0.00 False
s-444 BaLaCu4P4 P4/mmm tetragonal 0.00 0.00 False
s-544 Sn12Pd2Rh2 Pba2 orthorhombic 18.81 0.00 False
s-545 Sn16Ir2Rh2 Pban orthorhombic 11.37 0.00 False
s-594 La2Y2O4 P4/nmm tetragonal 71.19 0.00 False
s-605 Y2As2Rh2O2 P4/nmm tetragonal 17.38 0.00 False
s-608 Y2P2Rh2O2 P4/nmm tetragonal 21.28 0.00 False
s-612 Y2Cu2S2O2 P4/nmm tetragonal 41.20 1.44 False
s-613 Y2Cu2Se2O2 P4/nmm tetragonal 23.03 1.22 False
s-618 Y2Zn2P2O2 P4/nmm tetragonal 36.77 1.31 False
s-620 Y2P2Ru2O2 P4/nmm tetragonal 0.00 0.00 False
s-626 Y2P2Os2O2 P4/nmm tetragonal 23.69 0.00 False
s-637 Y2Co2O6 Pmmn orthorhombic 42.87 0.73 False
s-642 Y2P2Ir2O2 P4/nmm tetragonal 0.00 0.00 False
s-714 RbLaF4 P4/mmm tetragonal 1.74 6.05 False
s-733 YCu4Bi2Se3O4 P4/mmm tetragonal 12.52 0.00 False
s-739 Cu4Bi3Se3O4 P4/mmm tetragonal 5.71 0.00 False
s-740 LaCu4Bi2Se3O4 P4/mmm tetragonal 0.00 0.00 False
s-839 Sr3Fe4S2O6 P4/mmm tetragonal 30.41 1.02 False
s-854 BaY2Sn4Ge2 P-4m2 tetragonal 95.67 0.00 False
s-857 BaLaZn2Ge2 Pmmm orthorhombic 87.66 0.00 False
s-929 Ba2Mg2As2F2 P4/nmm tetragonal 3.93 1.56 False
s-933 Ba2La2Bi4F2 P4/nmm tetragonal 63.58 0.00 False
s-936 Ba2Sb2Ru2F2 P4/nmm tetragonal 15.31 0.00 False
s-941 Ba2Cd2Bi2F2 P4/nmm tetragonal 0.00 0.19 False
s-945 Ba2Mn2Bi2F2 P4/nmm tetragonal 86.46 0.00 False
s-963 MgSc2RuAu2 P4/mmm tetragonal 0.00 0.00 False
s-1025 Sn12Ir2Pd2 Pba2 orthorhombic 25.40 0.00 False
s-1026 In4Sn4Pd2 P4bm tetragonal 33.58 0.00 False
s-1129 La2As2Rh2O2 P4/nmm tetragonal 0.00 0.00 False
s-1132 La2P2Rh2O2 P4/nmm tetragonal 0.00 0.00 False
s-1143 La2P2Ru2O2 P4/nmm tetragonal 0.00 0.00 False
s-1145 La2MnS2O2 P-4m2 tetragonal 0.00 2.12 False
s-1149 La2Al2Ge2O2 P4/nmm tetragonal 58.68 0.00 False
s-1152 La2Ge2Ir2O2 P4/nmm tetragonal 3.58 0.00 False
s-1153 La3Si2O2 P-4m2 tetragonal 85.64 0.00 False
s-1154 La2B2Rh2O2 P4/nmm tetragonal 30.96 0.00 False
s-1155 La2P2Os2O2 P4/nmm tetragonal 0.00 0.00 False
s-1156 La2Cu2As2O2 P4/nmm tetragonal 0.00 0.00 False
s-1161 La2ZnSe2O2 P-4m2 tetragonal 19.62 2.00 False
s-1167 La2Ge2Rh2O2 P4/nmm tetragonal 1.01 0.00 False
s-1169 La2Ag2Se2O2 P4/nmm tetragonal 0.00 1.23 False
s-1173 La2B2Ir2O2 P4/nmm tetragonal 12.57 0.00 False
s-1174 La2P2Ir2O2 P4/nmm tetragonal 0.00 0.00 False
s-1263 BaY2Ga2Sn4 P-4m2 tetragonal 94.08 0.00 False
s-1399 La2Y2Sn4Bi4 Pmmn orthorhombic 10.24 0.00 False
s-1410 LaY2Si2Sn4 P-4m2 tetragonal 35.60 0.00 False
s-1479 La2Zn2Si2 Pmmm orthorhombic 0.00 0.00 False
s-1543 CsYCu2O4 P4/mmm tetragonal 69.86 0.00 False
s-1546 CsLaF4 P4/mmm tetragonal 0.00 5.85 False
s-1588 BaCa2Tl P4/mmm tetragonal 24.38 0.00 False
s-1721 AsPPd8 Pmmm orthorhombic 7.19 0.00 False
s-1793 Sr2MnFe2S2O3 P4/mmm tetragonal 45.45 0.00 False
s-1797 Sr2MnFe2Se2O3 P4/mmm tetragonal 53.70 0.00 False
s-1799 Sr2MnAs2Pd2O2 P4/mmm tetragonal 6.68 0.00 False
s-1804 Ca2Mn2As2F2 P4/nmm tetragonal 47.98 0.00 False
s-1866 La2Cd2Bi6 Pmmn orthorhombic 69.52 0.00 False
s-1895 CaMnCuBiS2O2 Pmm2 orthorhombic 29.02 0.57 False
s-1898 MnCuBiPbS2O2 Pmm2 orthorhombic 45.58 0.34 False
s-2001 K4Bi4Pb2 P4/mbm tetragonal 36.64 0.00 False
s-2002 K4Pb6 P4/mbm tetragonal 93.74 0.00 False
s-2056 BaTiO2 P4/mmm tetragonal 94.47 0.00 False
s-2080 Ba2MnP2Pd2O2 P4/mmm tetragonal 93.60 0.00 False
s-2093 Ba2MnFe2Se2O3 P4/mmm tetragonal 79.31 0.00 False
s-2095 Ba2MnAs2Pd2O2 P4/mmm tetragonal 9.98 0.00 False
s-2123 As2Rh2Pb2O2 P4/nmm tetragonal 46.36 0.00 False
s-2162 Ca2Cu2Se2F2 P4/nmm tetragonal 21.28 1.27 False
s-2165 Ca2As2Ru2F2 P4/nmm tetragonal 0.00 0.00 False
s-2166 Ca2Zn2P2F2 P4/nmm tetragonal 45.73 1.25 False
s-2167 Ca2P2Ru2F2 P4/nmm tetragonal 8.72 0.00 False
s-2170 Ca2MnS2F2 P-4m2 tetragonal 0.00 2.20 False
s-2173 Ca2P2Os2F2 P4/nmm tetragonal 0.00 0.00 False
s-2174 Ca2Cu2As2F2 P4/nmm tetragonal 47.00 0.00 False
s-2179 Ca2Al2Si2F2 P4/nmm tetragonal 47.80 0.00 False
s-2301 CaCu2BiSe2O2 P4mm tetragonal 0.00 0.00 False
s-2345 LiZnBiPbS2O2 Pmm2 orthorhombic 67.62 1.54 False
s-2377 LiMnBiPbS2O2 Pmm2 orthorhombic 93.77 0.95 False
s-2511 In2Co2O6 Pmmn orthorhombic 61.06 0.59 False
s-2548 Cu2BiPbSe2O2 P4mm tetragonal 0.00 0.00 False
s-2551 BiAs2Ru2PbO2 P4mm tetragonal 88.59 0.00 False
s-2574 Y2Cu2Bi2O8 P4/mmm tetragonal 33.06 0.00 False
s-2578 YCu4Bi2S3O4 P4/mmm tetragonal 0.00 0.00 False
s-2701 Sc2TlRu P4/mmm tetragonal 0.00 0.00 False
s-2702 TlRh Pm-3m cubic 91.47 0.00 False
s-2736 HgBi3Cl3O4 P4/mmm tetragonal 17.28 0.93 False
s-2743 YCu2Bi3O8 P4/mmm tetragonal 63.16 0.00 False
s-2747 Cu4Bi3S3O4 P4/mmm tetragonal 5.32 0.00 False
s-2756 LaHgBi2Cl3O4 P4/mmm tetragonal 4.13 1.53 False
s-2763 LaYCu2Bi2O8 P4/mmm tetragonal 35.71 0.00 False
s-2767 LaCu4Bi2S3O4 P4/mmm tetragonal 13.90 0.00 False
s-2895 Zn2Sb2Pb2F2 P4/nmm tetragonal 65.52 0.00 False
s-2905 Cu2As2Pb2F2 P4/nmm tetragonal 70.15 0.00 False
s-2928 Sc2NiH2Ru P4/mmm tetragonal 25.10 0.00 False
s-2951 Sc2BiRu P4/mmm tetragonal 46.83 0.00 False
s-2970 CdAgAu2 P4/mmm tetragonal 10.76 0.00 False
s-2971 Sc2CdRuAu2 P4/mmm tetragonal 0.00 0.00 False
s-3070 Sc2AgRu P4/mmm tetragonal 0.00 0.00 False
s-3072 CdAg3 P4/mmm tetragonal 28.25 0.00 False
s-3080 Sc2RuRh P4/mmm tetragonal 3.82 0.00 False
s-3081 Sc2CdAg2Ru P4/mmm tetragonal 0.00 0.00 False
s-3146 SrCaAl2Ga2 P-6m2 hexagonal 30.36 0.00 False
s-3149 SrYGa4 P-6m2 hexagonal 3.49 0.00 False
s-3163 SrYGa2Si2 R3m trigonal 63.68 0.00 False
s-3169 SrCaGa2Ge2 R3m trigonal 96.69 0.00 False
s-3170 BaSrGa2Ge2 R3m trigonal 84.73 0.00 False
s-3175 SrLaGa2Ge2 R3m trigonal 68.99 0.00 False
s-3180 SrGa2Bi2 R3m trigonal 85.87 0.00 False
s-3206 ZnSn2Au P-3m1 trigonal 21.79 0.00 False
s-3208 ZnSnPbAu P3m1 trigonal 62.56 0.00 False
s-3219 AgSn2Au P-3m1 trigonal 9.19 0.00 False
s-3270 Ca2GaSiP R3m trigonal 46.93 0.26 False
s-3271 Ca2GaSiAs R3m trigonal 68.86 0.20 False
s-3284 BaCaAl2Ga2 P-6m2 hexagonal 36.89 0.00 False
s-3298 CaYAl2Si2 R3m trigonal 78.59 0.00 False
s-3304 Ca2Al2Ge2 R3m trigonal 96.68 0.00 False
s-3305 BaCaAl2Ge2 R3m trigonal 91.43 0.00 False
s-3312 SrCaAl2Ge2 R3m trigonal 86.38 0.00 False
s-3328 CaAl2Ge2 R3m trigonal 65.77 0.00 False
s-3332 NaNbSe2 P-6m2 hexagonal 11.19 0.40 False
s-3334 NaTaSe2 P-6m2 hexagonal 18.40 0.34 False
s-3335 NaNbS2 P-6m2 hexagonal 11.18 0.52 False
s-3348 NaYO2 R-3m trigonal 6.24 4.17 False
s-3356 NbAlSe2S P3m1 trigonal 47.22 0.20 False
s-3371 SrCaGa2Sn2 R3m trigonal 0.00 0.00 False
s-3373 BaCaGa2Ge2 R3m trigonal 64.74 0.00 False
s-3391 Ba2HgSbP R3m trigonal 28.48 0.00 False
s-3396 BaC6 P6/mmm hexagonal 4.45 0.00 False
s-3399 BaPAu P-6m2 hexagonal 4.84 0.00 False
s-3400 BaCuAs P-6m2 hexagonal 1.44 0.00 False
s-3402 BaPPt P-6m2 hexagonal 67.97 0.00 False
s-3403 BaAsAu P-6m2 hexagonal 11.03 0.00 False
s-3406 BaCuSb P-6m2 hexagonal 6.42 0.00 False
s-3408 BaCu2 P6/mmm hexagonal 29.39 0.00 False
s-3410 BaAgP P-6m2 hexagonal 14.50 0.00 False
s-3416 BaZnSi P-6m2 hexagonal 0.00 0.00 False
s-3441 BaTe2Pb R-3m trigonal 28.78 1.61 False
s-3442 BaSnTe2 R-3m trigonal 60.66 1.27 False
s-3448 BaZn2As2 P-3m1 trigonal 29.58 0.06 False
s-3454 BaAl2 P6/mmm hexagonal 48.37 0.00 False
s-3483 ZnSn2Pb P3m1 trigonal 97.19 0.00 False
s-3496 KCuTe P-6m2 hexagonal 2.73 0.51 False
s-3500 CuBiTe2 P3m1 trigonal 29.75 0.45 False
s-3517 BaCaGa2Sn2 R3m trigonal 68.16 0.00 False
s-3518 BaYGa2Si2 R3m trigonal 75.57 0.00 False
s-3531 BaLaGa2Ge2 R3m trigonal 67.10 0.00 False
s-3556 Na2MgPb F-43m cubic 20.01 0.00 False
s-3569 CaSc2C P-3m1 trigonal 50.37 0.00 False
s-3585 Y2Ga2Si2 R3m trigonal 60.71 0.00 False
s-3586 BaYGa4 P-6m2 hexagonal 0.27 0.00 False
s-3599 LaYGa2Ge2 R3m trigonal 99.20 0.00 False
s-3613 YGa3Ge P3m1 trigonal 80.58 0.00 False
s-3623 Na2AgBi R3m trigonal 14.75 0.00 False
s-3627 AgSn2Bi P3m1 trigonal 94.06 0.00 False
s-3629 In2AgBi P3m1 trigonal 66.73 0.00 False
s-3637 Ag2SnBi P-6m2 hexagonal 65.22 0.00 False
s-3713 PtRh P-6m2 hexagonal 81.70 0.00 False
s-3737 Na2MgSn F-43m cubic 41.80 0.00 False
s-3747 Ca2ZnSbAs R3m trigonal 0.00 0.27 False
s-3748 Ba2ZnSbP R3m trigonal 27.30 0.21 False
s-3749 ZnBiSbTe R3m trigonal 62.13 0.39 False
s-3752 NbGaS2O P-6m2 hexagonal 44.25 0.26 False
s-3753 NaGaOF2 R3m trigonal 9.25 2.93 False
s-3757 ScGaO3 R3m trigonal 35.53 2.89 False
s-3760 YGaO3 R3m trigonal 79.81 2.74 False
s-3761 InGaO3 R3m trigonal 13.50 1.21 False
s-3762 GaMoO3 R3m trigonal 0.00 1.50 False
s-3801 Ca2ZnAsP P3m1 trigonal 35.92 0.49 False
s-3802 Ca2ZnAs2 R3m trigonal 52.55 0.01 False
s-3809 KCuSe P-6m2 hexagonal 2.22 0.12 False
s-3810 KBeSb P-6m2 hexagonal 69.37 0.72 False
s-3812 KLaSe2 R-3m trigonal 0.00 2.32 False
s-3816 KCdP P-6m2 hexagonal 0.00 0.12 False
s-3820 KAgTe P-6m2 hexagonal 0.00 0.31 False
s-3827 KCrTe2 P-3m1 trigonal 0.00 0.38 False
s-3831 KSnAs R3m trigonal 6.29 0.33 False
s-3832 KAlSi P-6m2 hexagonal 7.20 0.30 False
s-3843 KBiSe2 R-3m trigonal 0.00 1.11 False
s-3846 KScTe2 R-3m trigonal 0.00 0.83 False
s-3852 KSbSe2 R-3m trigonal 16.21 0.67 False
s-3854 KMnCuSe2 P3m1 trigonal 0.00 0.50 False
s-3857 KSnSb R3m trigonal 0.00 0.29 False
s-3859 KYSe2 R-3m trigonal 0.00 1.93 False
s-3863 KSbTe2 R-3m trigonal 0.00 0.70 False
s-3864 KGaSi P-6m2 hexagonal 0.00 0.26 False
s-3892 K2In2 R-3m trigonal 26.48 0.00 False
s-3899 Nb2In2O6 P3 trigonal 46.08 1.24 False
s-3910 TiTlS2 P-3m1 trigonal 0.00 0.00 False
s-3938 BaAl2Ge2 P-3m1 trigonal 61.13 0.00 False
s-3973 CrInO2 R-3m trigonal 38.18 0.00 False
s-3978 InMoO2 R-3m trigonal 76.34 0.00 False
s-3998 Ag2Au P-3m1 trigonal 14.24 0.00 False
s-3999 Nb2Au Fmmm orthorhombic 5.39 0.00 False
s-4002 Mn2Cu2Bi2S3Cl6 P31m trigonal 0.00 1.10 False
s-4007 AlAgO2 R-3m trigonal 0.25 1.38 False
s-4015 Nb2Ag Fmmm orthorhombic 93.75 0.00 False
s-4048 Ca2SiC6 P-3m1 trigonal 57.65 0.00 False
s-4068 Ba2AsPtF2 R3m trigonal 61.54 0.00 False
s-4110 Ag3Sb I4/mmm tetragonal 35.53 0.00 False
s-4111 Na2AgSb R3m trigonal 47.44 0.00 False
s-4116 Na2CdSn R3m trigonal 26.93 0.00 False
s-4123 CdAgSn2 P-3m1 trigonal 63.98 0.00 False
s-4127 IrRh P-6m2 hexagonal 46.60 0.00 False
s-4128 Ni2Rh P-3m1 trigonal 56.33 0.00 False
s-4136 Ba2PAuF2 R3m trigonal 56.47 0.00 False
s-4169 ZnCuSnBi P3m1 trigonal 95.51 0.00 False
s-4178 In2CuBi P3m1 trigonal 80.08 0.00 False
s-4183 CuAgSnBi P3m1 trigonal 64.56 0.00 False
s-4189 CaSnHgPb I-4m2 tetragonal 70.50 0.00 False
s-4217 YGa2Si2 P-3m1 trigonal 84.23 0.00 False
s-4224 CaGa2Ge2 P-3m1 trigonal 55.49 0.00 False
s-4230 YGa2Ge2 P-3m1 trigonal 89.32 0.00 False
s-4231 LaGa2Ge2 P-3m1 trigonal 50.01 0.00 False
s-4236 Ga2Bi2 R-3m trigonal 84.08 0.00 False
s-4311 CuBiSe2 P3m1 trigonal 20.99 0.27 False
s-4312 CuBiTeSe P3m1 trigonal 51.84 0.09 False
s-4313 CuSbSe2 P3m1 trigonal 21.48 0.29 False
s-4314 CuSbTeSe P3m1 trigonal 49.05 0.03 False
s-4315 CuPbSeI P3m1 trigonal 93.44 0.51 False
s-4352 Ca2BeSbP R3m trigonal 83.03 0.44 False
s-4359 Ca2ZnP2 P3m1 trigonal 0.00 0.67 False
s-4361 Ba2ZnPN R3m trigonal 76.03 1.02 False
s-4362 ZnBiPSe P3m1 trigonal 73.10 0.73 False
s-4363 ZnSbPSe P3m1 trigonal 99.11 0.33 False
s-4365 Ba2ZnSiF2 R3m trigonal 61.20 0.06 False
s-4373 ZnSnSbPt P3m1 trigonal 65.50 0.00 False
s-4391 Ca2HgAs2 P3m1 trigonal 33.50 0.14 False
s-4392 Ba2HgAsP R3m trigonal 19.34 0.00 False
s-4393 CaHg2Pb I4/mmm tetragonal 17.25 0.00 False
s-4485 CaCu2Sn2 R-3m trigonal 88.28 0.00 False
s-4511 Cu3Ge I4/mmm tetragonal 49.42 0.00 False
s-4519 Ba2AgPF2 R3m trigonal 63.08 0.47 False
s-4543 YGaSnGe2 R3m trigonal 95.59 0.00 False
s-4594 Na2CaPb F-43m cubic 20.22 0.00 False
s-4646 Ca2CdP2 P3m1 trigonal 23.97 0.81 False
s-4651 Ca2MgAsP P3m1 trigonal 0.00 1.44 False
s-4685 Ca2SnSbP P3m1 trigonal 0.00 0.03 False
s-4696 LaBiSe3 P3m1 trigonal 78.84 1.15 False
s-4697 LaBiTeSe2 R3m trigonal 64.68 1.03 True
s-4698 LaSbTeSe2 R3m trigonal 80.39 0.72 True
s-4699 LaPbSe2I P3m1 trigonal 64.67 1.89 True
s-4701 Ba2Be2BPO3F2 P321 trigonal 91.22 1.55 False
s-4703 Be2BiBTeO3F2 R3 trigonal 62.44 1.02 False
s-4704 Be2BSbTeO3F2 R3 trigonal 75.54 0.69 False
s-4705 Be2BPbIO3F2 P3 trigonal 80.41 2.81 False
s-4706 Cs2Pd4Se6 R-3m trigonal 2.20 0.74 False
s-4710 Ca2CdAsP P3m1 trigonal 36.20 0.55 False
s-4715 Ca2MgAs2 P3m1 trigonal 36.76 1.14 False
s-4737 Ca2SnSbAs P3m1 trigonal 0.00 0.00 False
s-4748 Sr2LiSN P3m1 trigonal 65.48 1.41 False
s-4749 LiInS2 P3m1 trigonal 65.23 2.24 False
s-4750 LiCa2SN P3m1 trigonal 47.16 2.13 False
s-4751 LiAlS2 P-3m1 trigonal 60.68 2.73 False
s-4752 Zr2Sc2C R-3m trigonal 98.12 0.00 False
s-4797 K2Ta3S6 P-62m hexagonal 2.35 0.00 False
s-4798 K2Nb3S6 P-62m hexagonal 0.00 0.00 False
s-4799 K2Bi2O6 R-3 trigonal 0.00 1.17 False
s-4801 K2Os2O6 R-3 trigonal 22.92 0.00 False
s-4803 Rb2SnAs2S6 P-3 trigonal 0.00 0.88 False
s-4805 Rb2MnTe2S6 P-3 trigonal 35.80 1.12 False
s-4812 Ba2Mg2As2F2 R-3m trigonal 39.70 1.72 False
s-4813 Ba2Te2PbF2 R-3m trigonal 57.47 2.07 False
s-4814 Ba2SnTe2F2 R-3m trigonal 70.74 1.63 False
s-4817 Ba2Ag2S2F2 R-3m trigonal 39.56 1.55 False
s-4818 Ba2Cd2As2F2 R-3m trigonal 27.76 0.71 False
s-4820 Ba2Mn2Sb2F2 R-3m trigonal 76.63 0.30 False
s-4821 Ba2MnTe2F2 P3m1 trigonal 56.73 1.44 False
s-4822 Ba2Cd2P2F2 R-3m trigonal 17.75 1.09 False
s-4827 Cu2Bi2Se2O2 R-3m trigonal 54.15 0.33 False
s-4828 BaCaGa2Sn2 P-3m1 trigonal 49.49 0.00 False
s-4829 SrCaSn4 R-3m trigonal 7.46 0.00 False
s-4830 CaZnSn3 P3m1 trigonal 55.70 0.00 False
s-4831 BaCaSn2Ge2 R-3m trigonal 54.70 0.00 False
s-4838 CaSn4 P-3m1 trigonal 81.18 0.00 False
s-4842 CaIn2Sn2 P-3m1 trigonal 57.44 0.00 False
s-4858 CaYSi2Ge2 R-3m trigonal 68.80 0.00 False
s-4863 Y2Si2Ge2 R-3m trigonal 97.37 0.00 False
s-4866 SrYSi2Ge2 R-3m trigonal 97.70 0.00 False
s-4883 BaSrGa2Sn2 P-3m1 trigonal 25.43 0.00 False
s-4885 Ba2Ga2Ge2 P-3m1 trigonal 40.38 0.00 False
s-4966 SrZnSn3 P3m1 trigonal 77.45 0.00 False
s-4972 SrSn4 P-3m1 trigonal 54.18 0.00 False
s-4976 SrIn2Sn2 P-3m1 trigonal 37.97 0.00 False
s-4985 AlVS3 R3m trigonal 97.30 0.00 True
s-5012 CdPPbI P3m1 trigonal 76.28 0.42 False
s-5099 BaCaGe4 P-3m1 trigonal 97.79 0.00 False
s-5106 SrCaGe4 P3m1 trigonal 68.97 0.00 False
s-5131 ZnSn3 P-3m1 trigonal 71.16 0.00 False
s-5135 ZnIn2Sn P3m1 trigonal 71.17 0.00 False
s-5146 BaSrGe4 P-3m1 trigonal 74.77 0.00 False
s-5204 Ca3P2 P-3m1 trigonal 0.00 1.39 False
s-5206 Ca3As2 P-3m1 trigonal 0.00 1.25 False
s-5315 Na2As2O6 P312 trigonal 59.59 2.87 False
s-5316 Na2ZnPb R3m trigonal 37.09 0.00 False
s-5318 Na2GeTeO6 P312 trigonal 71.00 2.64 False
s-5324 Na2ZnC2O6 R-3 trigonal 1.28 3.52 False
s-5325 Na2MnIO6 P312 trigonal 79.31 0.00 False
s-5326 Na2Nb3O6 P-62m hexagonal 3.63 0.00 False
s-5329 Na2AgSn R3m trigonal 21.49 0.00 False
s-5330 Na2CuIO6 P312 trigonal 0.00 0.42 False
s-5355 CrInTe2S P3m1 trigonal 97.17 0.00 True
s-5358 InSnAsS P3m1 trigonal 87.59 0.44 True
s-5362 ScInSe2S R3m trigonal 88.59 0.44 True
s-5365 CrInSe2S P3m1 trigonal 71.64 0.39 True
s-5366 YInS3 R3m trigonal 23.16 0.92 True
s-5374 InBiS3 P3m1 trigonal 15.42 1.31 True
s-5385 AgBiTeSe P3m1 trigonal 12.68 0.72 False
s-5387 AgSbTe2 P3m1 trigonal 10.67 0.30 False
s-5388 AgTePbI P3m1 trigonal 31.94 0.96 False
s-5390 MgBiAsSe P3m1 trigonal 92.54 0.84 False
s-5394 MgAsPbI R3m trigonal 29.04 0.61 True
s-5401 Cs2Pt4S6 R-3m trigonal 0.00 1.32 False
s-5405 NaCa2NF2 P-3m1 trigonal 23.14 1.46 False
s-5534 SnBi2Se R3m trigonal 47.96 0.00 False
s-5544 Ni2GeBi2 P-3m1 trigonal 70.44 0.00 False
s-5552 LaBiSeS2 P3m1 trigonal 77.38 1.20 True
s-5558 SnBiAsSe R3m trigonal 0.00 0.00 False
s-5581 MnCuBiSe3 R3m trigonal 5.73 0.00 True
s-5587 YBiSe3 P3m1 trigonal 34.10 1.24 True
s-5591 BiSbTe2Se R3m trigonal 30.14 0.51 False
s-5594 MnBiTe2Se R3m trigonal 59.56 0.00 True
s-5597 ZrAlS3 R3m trigonal 50.08 0.00 True
s-5599 AlCrSe2S P3m1 trigonal 23.18 0.71 True
s-5603 AlCrS3 P3m1 trigonal 3.58 0.73 True
s-5609 ScAlS3 R3m trigonal 23.17 1.83 True
s-5615 LaBiTeS2 P3m1 trigonal 72.30 1.23 False
s-5618 LaPbS2I P3m1 trigonal 80.79 2.17 True
s-5622 CrSbTe3 R3m trigonal 41.99 0.00 True
s-5655 Cd4BiTeAs3 P3m1 trigonal 78.66 0.00 True
s-5664 MnBiTe3 R3m trigonal 0.00 0.00 False
s-5705 SnSb2Se R3m trigonal 32.49 0.00 False
s-5731 SnSbTeAs R3m trigonal 40.69 0.00 False
s-5759 Ag3Te2PbI R3m trigonal 32.77 0.18 False
s-5794 ScSbTe3 R3m trigonal 21.34 0.71 True
s-5802 MnCuSbTeSe2 R3m trigonal 12.83 0.00 True
s-5808 YSbTeSe2 R3m trigonal 40.34 0.71 True
s-5836 SnBi2Te3Se R3m trigonal 34.10 0.33 False
s-5855 BiPbSe2I P3m1 trigonal 19.42 1.22 False
s-5860 Zn4As3PbI P3m1 trigonal 42.45 0.00 False
s-5867 SnSbPbI R3m trigonal 41.33 0.00 False
s-5869 YPbSe2I P3m1 trigonal 61.49 1.82 False
s-5894 Sb4Te3 R-3m trigonal 16.27 0.00 False
s-5906 In2Si2S3 P3m1 trigonal 94.28 0.67 True
s-5911 ZnSn2Pb P3m1 trigonal 97.12 0.00 False
s-5921 ZnAgSnPb P3m1 trigonal 85.79 0.00 False
s-5964 CuNi2Ge2 P3m1 trigonal 86.57 0.00 False
s-5990 YIn2Bi2 R-3m trigonal 94.88 0.00 False
s-5992 In2AgSn P3m1 trigonal 61.92 0.00 False
s-6034 Si2Ge2 R-3m trigonal 71.29 0.39 False
Structure id Formula Space group Crystal system Ehull (eV/atom) Band gap (eV) Is vdw?