▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ZnS2 | ICSD | 651447 | Pa3 (205) | ✔ | 12 | 96 | 3 | 1.2446 | 1.288 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sb2S3 | COD | 9007243 | Pnma (62) | ✔ | 20 | 112 | 2 | 1.0863 | 1.086 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca3SnO | COD | 1525461 | Pm-3m (221) | ✔ | 5 | 50 | 1 | 0.0 | 0.019 | 0.016 | (0;000) | ✗ | 27/01/17 |
Sn2S3 | COD | 2310450 | Pnma (62) | ✔ | 20 | 184 | 2 | 0.6328 | 0.730 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2Sn2S3 | ICSD | 33531 | C2/c (15) | ✔ | 14 | 144 | 3 | 0.4087 | 0.450 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrSnS3 | ICSD | 651032 | Pnma (62) | ✔ | 20 | 168 | 2 | 1.0794 | 1.289 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2SnS3 | ICSD | 48152 | C2/m (12) | ✔ | 12 | 116 | 1 | 0.6589 | 0.884 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrSnS3 | COD | 2001131 | Pnma (62) | ✔ | 20 | 144 | 2 | 0.8146 | 0.816 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrTiS3 | ICSD | 651070 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 0.0 | 0.026 | 0.078 | (0;000) | ✗ | 02/02/17 |
SrZrS3 | ICSD | 154103 | Pnma (62) | ✔ | 20 | 128 | 2 | 0.3824 | 0.382 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrZrS3 | ICSD | 23287 | Pnma (62) | ✔ | 20 | 128 | 3 | 0.9675 | 0.968 | 0.000 | (0;000) | ✗ | 02/02/17 |
TaTlS3 | ICSD | 412385 | Pnma (62) | ✔ | 20 | 176 | 2 | 0.423 | 0.438 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrTl2S3 | COD | 7019865 | P2_1/m (11) | ✔ | 12 | 96 | 3 | 0.6608 | 0.670 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y2S3 | ICSD | 651407 | Pnma (62) | ✔ | 20 | 160 | 3 | 0.7809 | 0.781 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sc2ZnS4 | ICSD | 650852 | Fd-3m (227) | ✔ | 14 | 116 | 3 | 0.5497 | 0.550 | 0.000 | (0;000) | ✗ | 02/02/17 |
SnS | ICSD | 43409 | F-43m (216) | ✗ | 2 | 20 | 3 | 0.0 | 0.025 | 0.304 | (0;000) | ✔ | 06/10/16 |
Sr2SiS4 | ICSD | 650888 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 2.6715 | 2.832 | 0.000 | (0;000) | ✗ | 02/02/17 |
VS4 | ICSD | 16797 | C2/c (15) | ✔ | 20 | 148 | 2 | 0.6894 | 0.769 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y2ZnS4 | ICSD | 651411 | Fd-3m (227) | ✔ | 14 | 116 | 3 | 0.5177 | 0.518 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zr3S4 | ICSD | 651475 | Fd-3m (227) | ✔ | 14 | 72 | 3 | 0.0 | 0.000 | 0.543 | (0;000) | ✗ | 02/02/17 |
Tl2Sn2S5 | COD | 7221342 | C2/c (15) | ✔ | 18 | 168 | 3 | 1.4213 | 1.473 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ta3SnS6 | ICSD | 74692 | P6_3/mcm (193) | ✔ | 20 | 178 | 3 | 0.0 | 0.000 | 0.959 | (0;000) | ✗ | 02/02/17 |
Sb2Se3 | COD | 9007437 | Pnma (62) | ✔ | 20 | 112 | 2 | 0.8595 | 0.866 | 0.000 | (0;000) | ✗ | 02/02/17 |
KNO3 | ICSD | 71398 | R3m (160) | ✗ | 5 | 32 | 1 | 3.3139 | 3.314 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca4P2O | ICSD | 402952 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 1.2767 | 1.470 | 0.000 | (0;000) | ✗ | 27/01/17 |
KNbO3 | ICSD | 14363 | C2mm (38) | ✗ | 5 | 40 | 3 | 2.0944 | 2.921 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca4Sb2O | COD | 7221475 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 0.7252 | 0.988 | 0.000 | (0;000) | ✗ | 27/01/17 |
KNbO3 | ICSD | 190922 | C2mm (38) | ✗ | 5 | 40 | 3 | 2.1224 | 2.960 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sb2Te3 | ICSD | 262172 | C2/m (12) | ✔ | 10 | 56 | 3 | 0.0 | 0.037 | 0.556 | (0;000) | ✗ | 02/02/17 |
Ca(CdP)2 | COD | 7221218 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.8743 | 0.874 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zr5SiSb3 | ICSD | 57144 | P6_3/mcm (193) | ✔ | 18 | 78 | 3 | 0.0 | 0.000 | 0.778 | (0;000) | ✗ | 02/02/17 |
Sr5Sb3 | ICSD | 57517 | P6_3/mcm (193) | ✔ | 16 | 130 | 1 | 0.0 | 0.000 | 0.508 | (0;000) | ✗ | 02/02/17 |
Y5Sb3 | ICSD | 651739 | P6_3/mcm (193) | ✔ | 16 | 140 | 3 | 0.0 | 0.002 | 0.551 | (0;000) | ✗ | 02/02/17 |
Ca(CdSb)2 | COD | 7221360 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.0 | 0.081 | 0.045 | (0;000) | ✗ | 27/01/17 |
KNbO3 | ICSD | 190923 | R3m (160) | ✗ | 5 | 40 | 3 | 2.4036 | 3.267 | 0.000 | (0;000) | ✗ | 06/10/16 |
Zr5Sb4 | ICSD | 153609 | P6_3/mcm (193) | ✔ | 18 | 80 | 3 | 0.0 | 0.006 | 0.733 | (0;000) | ✗ | 02/02/17 |
CaCl2 | COD | 9009084 | Pnnm (58) | ✔ | 6 | 48 | 1 | 5.3948 | 5.395 | 0.000 | (0;000) | ✗ | 27/01/17 |
SO2 | ICSD | 24645 | C2ce (41) | ✗ | 6 | 36 | 1 | 2.7868 | 3.412 | 0.000 | (0;000) | ✗ | 06/10/16 |
N3Cl | ICSD | 424502 | Cmc2_1 (36) | ✗ | 8 | 44 | 1 | 2.3446 | 2.370 | 0.000 | (0;000) | ✗ | 06/10/16 |
SnS | ICSD | 67442 | Cm2e (39) | ✗ | 4 | 40 | 2 | 1.0017 | 1.005 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZnSb | COD | 9008882 | Pbca (61) | ✔ | 16 | 136 | 3 | 0.0 | 0.431 | 0.011 | (0;000) | ✗ | 02/02/17 |
CaFeClO2 | ICSD | 96556 | C2/m (12) | ✔ | 10 | 74 | 1 | 0.0 | 0.021 | 0.595 | (0;000) | ✗ | 27/01/17 |
CaClF | COD | 9011173 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 5.6094 | 5.609 | 0.000 | (0;000) | ✗ | 27/01/17 |
KNbO3 | ICSD | 9533 | C2mm (38) | ✗ | 5 | 40 | 3 | 2.0831 | 2.916 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaHCl | COD | 9009165 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 4.3405 | 4.341 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaSe2 | COD | 1521538 | P6_3/mmc (194) | ✔ | 12 | 100 | 2 | 0.0 | 0.013 | 0.869 | (0;000) | ✗ | 02/02/17 |
ZnSe2 | ICSD | 652213 | Pa3 (205) | ✔ | 12 | 96 | 3 | 0.6872 | 0.823 | 0.000 | (0;000) | ✗ | 02/02/17 |
KNbO3 | ICSD | 9534 | R3m (160) | ✗ | 5 | 40 | 3 | 2.4592 | 3.318 | 0.000 | (0;000) | ✗ | 06/10/16 |
Tl4SnSe3 | ICSD | 651938 | I4/mcm (140) | ✔ | 16 | 168 | 3 | 0.0 | 0.052 | 0.044 | (0;000) | ✗ | 02/02/17 |
SrZrSe3 | ICSD | 84723 | Pnma (62) | ✔ | 20 | 128 | 2 | 0.1594 | 0.178 | 0.000 | (0;000) | ✗ | 02/02/17 |
KSnSb | ICSD | 33933 | P6_3mc (186) | ✗ | 6 | 56 | 1 | 0.2551 | 0.301 | 0.000 | (0;000) | ✔ | 06/10/16 |
TaTlSe3 | ICSD | 415528 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.1437 | 0.210 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2Se3 | ICSD | 652069 | C2/c (15) | ✔ | 10 | 88 | 1 | 0.546 | 0.716 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y2Se3 | ICSD | 652183 | Fddd (70) | ✔ | 20 | 160 | 3 | 1.0568 | 1.111 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ti3Se4 | ICSD | 79629 | P6_3/m (176) | ✔ | 14 | 120 | 3 | 0.0 | 0.004 | 0.245 | (0;000) | ✗ | 02/02/17 |
Y2ZnSe4 | ICSD | 652188 | Fd-3m (227) | ✔ | 14 | 116 | 3 | 0.1048 | 0.105 | 0.000 | (0;000) | ✗ | 02/02/17 |
SnS | ICSD | 79374 | C2me (39) | ✗ | 4 | 40 | 2 | 1.0723 | 1.072 | 0.000 | (0;000) | ✗ | 06/10/16 |
Zr5Sn3Se | ICSD | 656302 | P6_3/mcm (193) | ✔ | 18 | 136 | 3 | 0.0 | 0.006 | 0.243 | (0;000) | ✗ | 02/02/17 |
SnSe | COD | 9008786 | Pnma (62) | ✔ | 8 | 80 | 2 | 0.4969 | 0.652 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlSe | COD | 9008952 | I4/mcm (140) | ✔ | 8 | 76 | 1 | 0.0 | 0.367 | 0.043 | (0;000) | ✗ | 02/02/17 |
SiPt | ICSD | 248491 | Pmnb (62) | ✔ | 8 | 56 | 1 | 0.0138 | 0.018 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr5Si3 | COD | 8101453 | I4/mcm (140) | ✔ | 16 | 124 | 1 | 0.0 | 0.011 | 0.586 | (0;000) | ✗ | 02/02/17 |
Ta5Si3 | ICSD | 652304 | I4/mcm (140) | ✔ | 16 | 154 | 3 | 0.0 | 0.000 | 0.365 | (0;000) | ✗ | 02/02/17 |
Ta5Si3 | ICSD | 652335 | P6_3/mcm (193) | ✔ | 16 | 154 | 3 | 0.0 | 0.000 | 0.654 | (0;000) | ✗ | 02/02/17 |
KSnSb | ICSD | 40816 | P6_3mc (186) | ✗ | 6 | 56 | 1 | 0.3258 | 0.378 | 0.000 | (0;000) | ✔ | 06/10/16 |
CaCuSb | ICSD | 42137 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.463 | 0.122 | (0;000) | ✗ | 27/01/17 |
V5Si3 | ICSD | 652495 | I4/mcm (140) | ✔ | 16 | 154 | 3 | 0.0 | 0.000 | 0.323 | (0;000) | ✗ | 02/02/17 |
V5Si3 | ICSD | 652501 | P6_3/mcm (193) | ✔ | 16 | 154 | 3 | 0.0 | 0.000 | 0.744 | (0;000) | ✗ | 02/02/17 |
Y5Si3 | ICSD | 602005 | P6_3/mcm (193) | ✔ | 16 | 134 | 3 | 0.0 | 0.000 | 0.794 | (0;000) | ✗ | 02/02/17 |
YSi3 | ICSD | 263005 | I4/mmm (139) | ✔ | 16 | 92 | 3 | 0.0 | 0.004 | 0.638 | (0;000) | ✗ | 02/02/17 |
KZnSb | ICSD | 44680 | P-6m2 (187) | ✗ | 3 | 26 | 2 | 0.2326 | 0.390 | 0.000 | (0;000) | ✔ | 06/10/16 |
CaCrF6 | COD | 1525280 | R-3 (148) | ✔ | 8 | 66 | 1 | 0.0 | 0.021 | 0.350 | (0;000) | ✗ | 27/01/17 |
Zr5SiSn3 | ICSD | 656294 | P6_3/mcm (193) | ✔ | 18 | 132 | 3 | 0.0 | 0.000 | 0.562 | (0;000) | ✗ | 02/02/17 |
Sr2Si | COD | 1520913 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.3629 | 0.363 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrSi | ICSD | 42140 | Immm (71) | ✔ | 20 | 140 | 1 | 0.0 | 0.004 | 0.379 | (0;000) | ✗ | 02/02/17 |
CaCrO4 | COD | 1010939 | I4_1/amd (141) | ✔ | 12 | 96 | 1 | 2.8326 | 2.833 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2PbO3 | ICSD | 22063 | Cmc2_1 (36) | ✗ | 12 | 100 | 1 | 0.9829 | 0.983 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cs2CaF4 | ICSD | 82616 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 6.3925 | 6.507 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca(CuGe)2 | ICSD | 619230 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.030 | 0.787 | (0;000) | ✗ | 27/01/17 |
K2Sn2O3 | ICSD | 2216 | R3 (146) | ✗ | 7 | 64 | 2 | 0.8749 | 0.875 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaCu2O3 | COD | 2002243 | Pmmn (59) | ✔ | 12 | 100 | 3 | 0.0 | 0.009 | 0.954 | (0;000) | ✗ | 27/01/17 |
BP | ICSD | 181291 | F-43m (216) | ✗ | 2 | 8 | 3 | 1.2188 | 3.369 | 0.000 | (0;000) | ✗ | 06/10/16 |
MgCl2 | ICSD | 51245 | P-4m2 (115) | ✗ | 3 | 24 | 2 | 4.679 | 5.054 | 0.000 | (0;000) | ✗ | 06/10/16 |
K3SbS4 | ICSD | 41895 | I-43m (217) | ✗ | 8 | 56 | 1 | 2.2119 | 2.258 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca(CuS)2 | COD | 4001658 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 1.0638 | 1.064 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zr5Sn4 | ICSD | 652856 | P6_3/mcm (193) | ✔ | 18 | 152 | 3 | 0.0 | 0.003 | 0.672 | (0;000) | ✗ | 02/02/17 |
Ca(SiCu)2 | ICSD | 619238 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.025 | 0.779 | (0;000) | ✗ | 27/01/17 |
CaCuF4 | ICSD | 9928 | I4/mcm (140) | ✔ | 12 | 98 | 1 | 0.0 | 0.001 | 0.620 | (0;000) | ✗ | 27/01/17 |
Sn | ICSD | 35503 | C2/m (12) | ✔ | 1 | 14 | 1 | 0.0 | 0.300 | 0.504 | (0;000) | ✗ | 02/02/17 |
Sr2Sn | COD | 1528200 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.1881 | 0.188 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl4SnTe3 | COD | 1523050 | I4/mcm (140) | ✔ | 16 | 168 | 3 | 0.0 | 0.057 | 0.193 | (0;000) | ✗ | 02/02/17 |
Tl2SnTe5 | ICSD | 73666 | I4/mcm (140) | ✔ | 16 | 140 | 3 | 0.0 | 0.012 | 0.128 | (0;000) | ✗ | 02/02/17 |
YZnSn | ICSD | 152622 | P6_3/mmc (194) | ✔ | 12 | 148 | 3 | 0.0 | 0.012 | 0.430 | (0;000) | ✗ | 02/02/17 |
S | COD | 9012364 | C2/c (15) | ✔ | 20 | 120 | 1 | 1.9556 | 2.174 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaCuP | ICSD | 49740 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.861 | 0.050 | (0;000) | ✗ | 27/01/17 |
SrZn2 | ICSD | 246194 | P6_3/mmc (194) | ✔ | 12 | 136 | 3 | 0.0 | 0.007 | 0.815 | (0;000) | ✗ | 02/02/17 |
CaF2 | ICSD | 656449 | Pnma (62) | ✔ | 12 | 96 | 1 | 8.4981 | 8.498 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zr5Sb3S | ICSD | 650833 | P6_3/mcm (193) | ✔ | 18 | 82 | 3 | 0.0 | 0.000 | 0.871 | (0;000) | ✗ | 02/02/17 |
Zr5Sn3S | ICSD | 656296 | P6_3/mcm (193) | ✔ | 18 | 136 | 3 | 0.0 | 0.004 | 0.229 | (0;000) | ✗ | 02/02/17 |
SrS | COD | 9016565 | Pnma (62) | ✔ | 8 | 64 | 1 | 1.1672 | 1.167 | 0.000 | (0;000) | ✗ | 02/02/17 |