Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| RbAu3Se2 | COD | 1510509 | P-3m1 (164) | ✔ | 6 | 54 | 2 | 1.108 | 1.572 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Mg(BC)2 | ICSD | 421839 | Pnnm (58) | ✔ | 10 | 48 | 3 | 1.1081 | 1.531 | 0.000 | (0;000) | ✗ | 27/01/17 |
| WSBr4 | COD | 1527306 | P2_1/c (14) | ✔ | 24 | 248 | 1 | 1.1089 | 1.179 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CdPSe3 | ICSD | 620234 | R-3 (148) | ✔ | 10 | 70 | 2 | 1.1098 | 1.259 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ReS2 | ICSD | 75459 | P-1 (2) | ✔ | 12 | 108 | 2 | 1.1111 | 1.111 | 0.000 | (0;000) | ✗ | 02/02/17 |
| YBi2IO4 | ICSD | 92432 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 1.112 | 1.388 | 0.000 | (0;000) | ✗ | 21/03/17 |
| NaSi | COD | 8102990 | C2/c (15) | ✔ | 16 | 104 | 1 | 1.1134 | 1.225 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LaI3 | ICSD | 31596 | Cmcm (63) | ✔ | 8 | 48 | 2 | 1.1147 | 1.359 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaCuO | ICSD | 188521 | I-4m2 (119) | ✗ | 12 | 104 | 3 | 1.1158 | 1.205 | 0.000 | (0;000) | ✗ | 07/10/16 |
| CsAuSe3 | COD | 1510105 | C2/c (15) | ✔ | 10 | 76 | 2 | 1.1162 | 1.357 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca4As2O | ICSD | 68203 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 1.1166 | 1.325 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Na2PtS2 | ICSD | 87219 | Cmc2_1 (36) | ✗ | 10 | 80 | 1 | 1.1175 | 1.485 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb2Sn2Se5 | ICSD | 80766 | C2/c (15) | ✔ | 18 | 152 | 3 | 1.1176 | 1.242 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BPS4 | ICSD | 24618 | I222 (23) | ✗ | 6 | 32 | 1 | 1.1178 | 1.383 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba2YAg5S6 | ICSD | 659302 | C2/m (12) | ✔ | 14 | 122 | 3 | 1.1178 | 1.328 | 0.000 | (0;000) | ✗ | 30/01/17 |
| K2CuP | ICSD | 61082 | Cmcm (63) | ✔ | 8 | 68 | 1 | 1.118 | 1.194 | 0.000 | (0;000) | ✗ | 22/03/17 |
| ZnSiAs2 | ICSD | 191070 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.1183 | 1.118 | 0.000 | (0;000) | ✗ | 07/10/16 |
| K3ClO | ICSD | 78891 | Pnma (62) | ✔ | 20 | 160 | 1 | 1.1192 | 1.119 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaSbSe2F | COD | 1101163 | P-1 (2) | ✔ | 20 | 136 | 1 | 1.1197 | 1.373 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2CuAs | ICSD | 43936 | Cmcm (63) | ✔ | 8 | 68 | 1 | 1.1211 | 1.224 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Ba4LiCu(CO5)2 | COD | 2002734 | I-42m (121) | ✗ | 18 | 122 | 2 | 1.1212 | 1.566 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Na2Zn2O3 | ICSD | 25617 | P2_1/c (14) | ✔ | 14 | 120 | 3 | 1.1217 | 1.122 | 0.000 | (0;000) | ✗ | 27/01/17 |
| VNCl4 | ICSD | 28128 | P-1 (2) | ✔ | 12 | 92 | 1 | 1.1219 | 1.234 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na6PbO5 | ICSD | 21036 | Cmcm (63) | ✔ | 24 | 196 | 1 | 1.1219 | 1.122 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ag3PS4 | COD | 1510028 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 1.1228 | 1.123 | 0.000 | (0;000) | ✗ | 16/03/17 |
| ZrIN | ICSD | 36119 | Pmmn (59) | ✔ | 6 | 32 | 2 | 1.1231 | 1.123 | 0.000 | (0;000) | ✗ | 30/01/17 |
| K2PdS2 | ICSD | 641296 | Immm (71) | ✔ | 5 | 48 | 1 | 1.1239 | 1.634 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2AgSb | ICSD | 1155 | C222_1 (20) | ✗ | 8 | 68 | 1 | 1.1247 | 1.333 | 0.000 | (0;000) | ✗ | 06/10/16 |
| YTlSe2 | ICSD | 652075 | R-3m (166) | ✔ | 4 | 36 | 2 | 1.1254 | 1.777 | 0.000 | (0;000) | ✗ | 27/01/17 |
| GePdS3 | ICSD | 408505 | C2/m (12) | ✔ | 10 | 80 | 1 | 1.1255 | 1.456 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2PdBr4 | COD | 2106711 | P4/mmm (123) | ✔ | 7 | 64 | 1 | 1.1261 | 1.126 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Nb2Te4Cl10O | ICSD | 49920 | P-1 (2) | ✔ | 17 | 126 | 2 | 1.1278 | 1.256 | 0.000 | (0;000) | ✗ | 02/02/17 |
| N2O3 | ICSD | 80890 | P2_12_12_1 (19) | ✗ | 20 | 112 | 1 | 1.128 | 1.175 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Ba(MgP)2 | ICSD | 30914 | P-3m1 (164) | ✔ | 5 | 40 | 1 | 1.1281 | 1.727 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Cs6Si2NiO8 | COD | 8100892 | P-1 (2) | ✔ | 17 | 120 | 3 | 1.1286 | 1.149 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2Cu2SnS4 | ICSD | 74020 | Ibam (72) | ✔ | 18 | 156 | 2 | 1.1287 | 1.160 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AgI | ICSD | 62789 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 1.1299 | 1.130 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BH2CO | ICSD | 9561 | C2/c (15) | ✔ | 20 | 60 | 1 | 1.1303 | 1.130 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZnSnP2 | ICSD | 184466 | I-42d (122) | ✗ | 8 | 72 | 3 | 1.1304 | 1.130 | 0.000 | (0;000) | ✗ | 07/10/16 |
| KMgAs | ICSD | 610753 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.1304 | 1.165 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaC2 | ICSD | 186576 | R-3m (166) | ✔ | 3 | 18 | 1 | 1.1314 | 1.919 | 0.000 | (0;000) | ✗ | 27/01/17 |
| InAg(PS3)2 | COD | 1000229 | P-31c (163) | ✔ | 20 | 140 | 2 | 1.1317 | 1.352 | 0.000 | (0;000) | ✗ | 30/01/17 |
| SiP | ICSD | 87149 | Cmc2_1 (36) | ✗ | 24 | 108 | 2 | 1.1331 | 1.265 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CN2 | ICSD | 247680 | Cmc2_1 (36) | ✗ | 6 | 28 | 3 | 1.1333 | 1.133 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K3IO | ICSD | 36512 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 1.1333 | 1.133 | 0.000 | (0;000) | ✗ | 30/01/17 |
| K2NaInP2 | ICSD | 300132 | Ibam (72) | ✔ | 12 | 100 | 1 | 1.1336 | 1.138 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2SiAs2 | COD | 1008523 | Ibam (72) | ✔ | 10 | 64 | 1 | 1.1343 | 1.444 | 0.000 | (0;000) | ✗ | 30/01/17 |
| NbTlBr4O | ICSD | 415203 | C2 (5) | ✗ | 7 | 60 | 1 | 1.1356 | 1.469 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ta(TeCl3)2 | ICSD | 401907 | P-1 (2) | ✔ | 18 | 134 | 1 | 1.1359 | 1.136 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba2YInSe5 | ICSD | 262888 | Cmc2_1 (36) | ✗ | 18 | 148 | 1 | 1.1362 | 1.136 | 0.000 | (0;000) | ✗ | 21/03/17 |
| KBiF6 | ICSD | 25025 | P-4c2 (116) | ✗ | 16 | 132 | 3 | 1.1363 | 1.136 | 0.000 | (0;000) | ✗ | 21/03/17 |
| NbIO2 | ICSD | 418061 | Pnma (62) | ✔ | 16 | 128 | 2 | 1.1368 | 1.320 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaClO3 | COD | 1010057 | P2_13 (198) | ✗ | 20 | 136 | 1 | 1.1406 | 1.153 | 0.000 | (0;000) | ✗ | 22/03/17 |
| SrAgTeF | ICSD | 183711 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.141 | 1.141 | 0.000 | (0;000) | ✗ | 05/01/17 |
| TlAgI2 | COD | 1509391 | I4/mcm (140) | ✔ | 8 | 76 | 1 | 1.1422 | 1.142 | 0.000 | (0;000) | ✗ | 30/01/17 |
| AuClO | COD | 2105387 | R-3 (148) | ✔ | 18 | 144 | 3 | 1.1439 | 1.248 | 0.000 | (0;000) | ✗ | 30/01/17 |
| BaCdPF | ICSD | 189937 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.1441 | 1.144 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Cl2O | ICSD | 407768 | I4_1/amd (141) | ✔ | 12 | 80 | 1 | 1.1441 | 1.193 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2NaAlAs2 | ICSD | 73280 | Ibam (72) | ✔ | 12 | 80 | 1 | 1.1444 | 1.304 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Rb2Pd3S4 | ICSD | 41886 | C2/m (12) | ✔ | 9 | 96 | 1 | 1.1446 | 1.318 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZnSe | ICSD | 162755 | F-43m (216) | ✗ | 2 | 18 | 3 | 1.1452 | 1.145 | 0.000 | (0;000) | ✗ | 06/10/16 |
| YBi2BrO4 | ICSD | 92418 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 1.1464 | 1.579 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BeSiP2 | ICSD | 237066 | I-42d (122) | ✗ | 8 | 36 | 3 | 1.1465 | 1.147 | 0.000 | (0;000) | ✗ | 07/10/16 |
| PdSO4 | ICSD | 79559 | C2/c (15) | ✔ | 12 | 96 | 3 | 1.1467 | 1.229 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr3(AlAs2)2 | ICSD | 423787 | C2/c (15) | ✔ | 18 | 112 | 2 | 1.1469 | 1.148 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Na3SbSe4 | ICSD | 65141 | I-43m (217) | ✗ | 8 | 56 | 1 | 1.1474 | 1.148 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZnTe | ICSD | 67779 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 1.1475 | 1.148 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba3(InP2)2 | ICSD | 402812 | C2/c (15) | ✔ | 18 | 152 | 2 | 1.1479 | 1.148 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P3Ru | ICSD | 62420 | P-1 (2) | ✔ | 16 | 124 | 3 | 1.1482 | 1.201 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca2Pt3O8 | ICSD | 65412 | R-3m (166) | ✔ | 13 | 98 | 1 | 1.149 | 1.308 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZrNCl | COD | 1521250 | R-3m (166) | ✔ | 6 | 32 | 2 | 1.1497 | 1.792 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CdS | ICSD | 159379 | F-43m (216) | ✗ | 2 | 18 | 3 | 1.1498 | 1.150 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na2CS3 | ICSD | 73094 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.1499 | 1.499 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca5P8 | ICSD | 74854 | C2/m (12) | ✔ | 13 | 90 | 1 | 1.1515 | 1.169 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2TeI6 | ICSD | 36009 | P4/mnc (128) | ✔ | 18 | 132 | 1 | 1.152 | 1.419 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsYZnTe3 | COD | 4312038 | Cmcm (63) | ✔ | 12 | 100 | 1 | 1.1521 | 1.152 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2TiS3 | ICSD | 72377 | C2/c (15) | ✔ | 12 | 96 | 1 | 1.1523 | 1.152 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrTe | COD | 9008730 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 1.153 | 1.986 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K7TaAs4 | ICSD | 380110 | Pmn2_1 (31) | ✗ | 24 | 192 | 1 | 1.1533 | 1.155 | 0.000 | (0;000) | ✗ | 04/08/17 |
| AuCl | ICSD | 6052 | I4_1/amd (141) | ✔ | 8 | 72 | 3 | 1.1538 | 1.154 | 0.000 | (0;000) | ✗ | 05/01/17 |
| NaPPdS4 | ICSD | 97456 | I4/mcm (140) | ✔ | 14 | 112 | 1 | 1.1547 | 1.399 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2NaCoF6 | ICSD | 42148 | Fm-3m (225) | ✔ | 10 | 86 | 1 | 1.1552 | 1.156 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BiI3 | ICSD | 56570 | R-3 (148) | ✔ | 8 | 72 | 2 | 1.1573 | 1.189 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ga2PdI8 | ICSD | 413230 | C2/m (12) | ✔ | 11 | 100 | 1 | 1.1575 | 1.304 | 0.000 | (0;000) | ✗ | 02/02/17 |
| GaAgS2 | ICSD | 156126 | I-42d (122) | ✗ | 8 | 72 | 3 | 1.1606 | 1.161 | 0.000 | (0;000) | ✗ | 07/10/16 |
| Hf(Te2Cl3)2 | ICSD | 401589 | P-1 (2) | ✔ | 11 | 78 | 1 | 1.1606 | 1.187 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2Pt3S4 | ICSD | 26266 | Fmmm (69) | ✔ | 9 | 72 | 1 | 1.1613 | 1.421 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZnSe | ICSD | 43595 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 1.1625 | 1.163 | 0.000 | (0;000) | ✗ | 06/10/16 |
| P4Os | ICSD | 647708 | P2_1/c (14) | ✔ | 10 | 72 | 3 | 1.1626 | 1.319 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K4BeP2 | ICSD | 300110 | R-3m (166) | ✔ | 7 | 50 | 1 | 1.1639 | 1.189 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HfS3 | ICSD | 42074 | P2_1/m (11) | ✔ | 8 | 60 | 2 | 1.1644 | 1.205 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BiIO | COD | 9009164 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 1.1644 | 1.228 | 0.000 | (0;000) | ✗ | 21/03/17 |
| InSe | ICSD | 32714 | C2/m (12) | ✔ | 4 | 38 | 2 | 1.1651 | 1.346 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiSbS2 | ICSD | 40457 | R-3 (148) | ✔ | 24 | 120 | 2 | 1.167 | 1.543 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SrS | COD | 9016565 | Pnma (62) | ✔ | 8 | 64 | 1 | 1.1672 | 1.167 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbAgSe4 | COD | 1509517 | P2_12_12_1 (19) | ✗ | 24 | 176 | 1 | 1.1675 | 1.168 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BC2N | ICSD | 191800 | Cm (8) | ✗ | 8 | 32 | 3 | 1.1686 | 1.169 | 0.000 | (0;000) | ✗ | 06/10/16 |
| HgO | COD | 9012530 | Pnma (62) | ✔ | 8 | 72 | 3 | 1.1689 | 1.576 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PbO | COD | 9012694 | P4/nmm (129) | ✔ | 4 | 40 | 2 | 1.1691 | 2.163 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PbO | ICSD | 62846 | P4/nmm (129) | ✔ | 4 | 40 | 2 | 1.1693 | 2.163 | 0.000 | (0;000) | ✗ | 06/10/16 |