Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▴ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| KMnF4 | COD | 1006039 | P2_1/c (14) | ✔ | 24 | 208 | 1 | 0.0 | 0.013 | 0.220 | (0;000) | ✗ | 04/08/17 |
| KScF4 | ICSD | 72736 | C2/m (12) | ✔ | 24 | 192 | 1 | 6.402 | 6.402 | 0.000 | (0;000) | ✗ | 04/08/17 |
| RbMnF4 | ICSD | 73587 | P2_1/c (14) | ✔ | 24 | 208 | 1 | 0.0 | 0.008 | 0.119 | (0;000) | ✗ | 04/08/17 |
| NaSbF4 | COD | 1530041 | P2_1/c (14) | ✔ | 24 | 168 | 1 | 4.4558 | 4.560 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaSbF4 | ICSD | 24750 | P2_1/c (14) | ✔ | 24 | 168 | 2 | 4.2647 | 4.267 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaTiF4 | ICSD | 389 | Pbcn (60) | ✔ | 24 | 196 | 2 | 0.0 | 0.000 | 0.734 | (0;000) | ✗ | 04/08/17 |
| NaVF4 | ICSD | 407013 | P2_1/c (14) | ✔ | 24 | 200 | 2 | 0.0 | 0.001 | 0.480 | (1;000) | ✗ | 04/08/17 |
| OsOF4 | ICSD | 417246 | P2_1/c (14) | ✔ | 24 | 200 | 1 | 0.67 | 0.670 | 0.000 | (0;000) | ✗ | 04/08/17 |
| RuOF4 | ICSD | 417249 | P2_1/c (14) | ✔ | 24 | 200 | 3 | 0.4136 | 0.428 | 0.000 | (0;000) | ✗ | 04/08/17 |
| WOF4 | COD | 1523521 | C2/m (12) | ✔ | 24 | 248 | 2 | 1.5645 | 1.567 | 0.000 | (0;000) | ✗ | 04/08/17 |
| RbTlF4 | ICSD | 4047 | Pca2_1 (29) | ✗ | 24 | 200 | 1 | 3.1437 | 3.213 | 0.000 | (0;000) | ✗ | 04/08/17 |
| TlSbF4 | COD | 1530522 | P2_1/c (14) | ✔ | 24 | 184 | 1 | 0.0 | 3.540 | 1.000 | (0;000) | ✗ | 04/08/17 |
| MoF5 | ICSD | 26644 | C2/m (12) | ✔ | 24 | 196 | 2 | 0.0 | 0.021 | 0.270 | (0;000) | ✗ | 04/08/17 |
| NbF5 | ICSD | 26647 | C2/m (12) | ✔ | 24 | 192 | 2 | 5.6485 | 5.679 | 0.000 | (0;000) | ✗ | 04/08/17 |
| TaF5 | COD | 1528377 | C2/m (12) | ✔ | 24 | 192 | 2 | 5.8166 | 5.835 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SF6 | COD | 1526434 | C2/m (12) | ✔ | 21 | 144 | 1 | 6.8724 | 6.886 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SF6 | ICSD | 41229 | P-3m1 (164) | ✔ | 21 | 144 | 1 | 6.0159 | 6.027 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Pb4IF7 | ICSD | 36337 | Cmcm (63) | ✔ | 24 | 224 | 2 | 2.5134 | 2.683 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K3SiF7 | ICSD | 23875 | P4/mbm (127) | ✔ | 22 | 160 | 1 | 6.192 | 6.192 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KTi2F7 | ICSD | 174209 | Cmmm (65) | ✔ | 10 | 82 | 3 | 0.0 | 0.014 | 0.924 | (0;000) | ✗ | 04/08/17 |
| Rb3NiF7 | COD | 1531513 | P4/mbm (127) | ✔ | 22 | 172 | 1 | 0.9467 | 0.947 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Rb3SiF7 | COD | 1531492 | P4/mbm (127) | ✔ | 22 | 160 | 1 | 5.8404 | 5.840 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ge3F8 | ICSD | 427896 | P2_1/c (14) | ✔ | 22 | 136 | 3 | 4.5299 | 4.541 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K3TaF8 | COD | 2017527 | P6_3mc (186) | ✗ | 24 | 192 | 1 | 3.6455 | 3.650 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na3TaF8 | COD | 2017817 | C2/c (15) | ✔ | 24 | 192 | 1 | 5.1794 | 5.221 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Sn3F8 | ICSD | 61162 | P2_1/c (14) | ✔ | 22 | 196 | 3 | 3.6323 | 3.667 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KTe2F9 | ICSD | 84364 | P-1 (2) | ✔ | 24 | 168 | 1 | 4.6391 | 4.676 | 0.000 | (0;000) | ✗ | 04/08/17 |
| HfFe2 | ICSD | 632249 | P6_3/mmc (194) | ✔ | 24 | 224 | 3 | 0.0 | 0.001 | 0.239 | (1;000) | ✗ | 04/08/17 |
| Fe2P2O7 | COD | 4000291 | P2_1/c (14) | ✔ | 22 | 136 | 3 | 0.4683 | 0.487 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Rb4Fe2S5 | ICSD | 425071 | P-1 (2) | ✔ | 22 | 164 | 1 | 0.0 | 0.013 | 0.100 | (0;101) | ✗ | 04/08/17 |
| ScFe2 | ICSD | 633417 | P6_3/mmc (194) | ✔ | 24 | 216 | 3 | 0.0 | 0.003 | 0.815 | (1;000) | ✗ | 04/08/17 |
| ZrFe2 | ICSD | 634194 | P6_3/mmc (194) | ✔ | 24 | 160 | 3 | 0.0 | 0.001 | 0.272 | (1;000) | ✗ | 04/08/17 |
| YFe3 | ICSD | 634092 | P6_3/mmc (194) | ✔ | 24 | 210 | 3 | 0.0 | 0.000 | 0.830 | (1;000) | ✗ | 04/08/17 |
| Fe6Ge5 | ICSD | 23471 | C2/m (12) | ✔ | 22 | 136 | 3 | 0.0 | 0.002 | 0.356 | (1;110) | ✗ | 04/08/17 |
| LiFe6Ge5 | COD | 7221260 | C2/m (12) | ✔ | 24 | 142 | 3 | 0.0 | 0.005 | 0.844 | (0;001) | ✗ | 04/08/17 |
| HfFeSi2 | ICSD | 62614 | Immm (71) | ✔ | 24 | 168 | 3 | 0.0 | 0.004 | 0.322 | (0;000) | ✗ | 04/08/17 |
| K3FeO2 | COD | 1517825 | P4_12_12 (92) | ✗ | 24 | 188 | 2 | 0.0 | 0.000 | 0.445 | ? | ✗ | 04/08/17 |
| FeMoO4 | ICSD | 43012 | C2/m (12) | ✔ | 24 | 184 | 3 | 0.2752 | 0.373 | 0.000 | (0;000) | ✗ | 04/08/17 |
| FeMoO4 | ICSD | 43013 | C2/m (12) | ✔ | 24 | 184 | 3 | 0.4944 | 0.494 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na6FeSe4 | ICSD | 72304 | P6_3mc (186) | ✗ | 22 | 172 | 1 | 0.0 | 0.000 | 0.503 | ? | ✗ | 04/08/17 |
| FePO4 | COD | 1525576 | Pnma (62) | ✔ | 24 | 148 | 3 | 0.0 | 0.000 | 0.432 | (1;101) | ✗ | 04/08/17 |
| FePO4 | ICSD | 281079 | P2_1/c (14) | ✔ | 24 | 148 | 3 | 0.0 | 0.000 | 0.467 | (0;111) | ✗ | 04/08/17 |
| FePO4 | ICSD | 290337 | Pnma (62) | ✔ | 24 | 148 | 3 | 0.0 | 0.001 | 0.184 | (1;011) | ✗ | 04/08/17 |
| FeSO4 | COD | 2216658 | Pnma (62) | ✔ | 24 | 152 | 3 | 0.1406 | 0.141 | 0.000 | (0;000) | ✗ | 04/08/17 |
| FeS2O9 | COD | 9013790 | P-1 (2) | ✔ | 12 | 74 | 2 | 0.0 | 0.041 | 0.500 | (1;000) | ✗ | 04/08/17 |
| FeSbPt | ICSD | 633196 | P2_13 (198) | ✗ | 12 | 92 | 3 | 0.0 | 0.000 | 0.392 | ? | ✗ | 04/08/17 |
| FeS | COD | 9007651 | P-62c (190) | ✗ | 24 | 168 | 3 | 0.0 | 0.001 | 0.589 | ? | ✗ | 04/08/17 |
| FeSi2 | COD | 2106045 | Cmce (64) | ✔ | 24 | 128 | 3 | 0.7214 | 0.791 | 0.000 | (0;000) | ✗ | 04/08/17 |
| FeS | ICSD | 89381 | P2_1/c (14) | ✔ | 24 | 168 | 3 | 0.0 | 0.017 | 0.009 | (0;000) | ✗ | 04/08/17 |
| SNF | COD | 2310697 | P-42_1c (114) | ✗ | 24 | 144 | 1 | 3.5409 | 3.846 | 0.000 | (0;000) | ✗ | 04/08/17 |
| YSeF | COD | 2106573 | P2_1/m (11) | ✔ | 24 | 192 | 3 | 2.0509 | 2.061 | 0.000 | (0;000) | ✗ | 04/08/17 |
| MgGa2 | ICSD | 23226 | Pbam (55) | ✔ | 24 | 288 | 3 | 0.0 | 0.010 | 0.822 | (0;100) | ✗ | 04/08/17 |
| V3Ga2N | ICSD | 60643 | P4_132 (213) | ✗ | 24 | 280 | 3 | 0.0 | 0.000 | 0.410 | ? | ✗ | 04/08/17 |
| Sr3Ga3N5 | COD | 4323351 | P-1 (2) | ✔ | 22 | 188 | 3 | 1.4918 | 1.492 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SrGa4O7 | COD | 2002229 | C2/c (15) | ✔ | 24 | 208 | 3 | 2.8686 | 2.869 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ga4SnS7 | COD | 4001920 | Pc (7) | ✗ | 24 | 216 | 3 | 2.3502 | 2.560 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ga4SnSe7 | COD | 4001921 | Pc (7) | ✗ | 24 | 216 | 3 | 1.7428 | 1.744 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Sr6Ga5N | ICSD | 77645 | R-3c (167) | ✔ | 24 | 260 | 1 | 0.0 | 0.007 | 0.357 | (1;000) | ✗ | 04/08/17 |
| MgGaH4 | ICSD | 240696 | P2_1/c (14) | ✔ | 24 | 108 | 2 | 0.0 | 0.015 | 0.330 | (0;010) | ✗ | 04/08/17 |
| HfGa | COD | 1522450 | Pbcm (57) | ✔ | 24 | 300 | 3 | 0.0 | 0.000 | 0.699 | (1;000) | ✗ | 04/08/17 |
| KGaI4 | ICSD | 400816 | P2_1/c (14) | ✔ | 24 | 200 | 1 | 2.5195 | 2.585 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiGaI4 | ICSD | 60850 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 2.3064 | 2.339 | 0.000 | (0;000) | ✗ | 04/08/17 |
| TlGaI4 | ICSD | 419824 | P2_1/c (14) | ✔ | 24 | 216 | 1 | 2.4465 | 2.523 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KGaSb4 | ICSD | 300158 | Pnma (62) | ✔ | 24 | 168 | 3 | 0.2385 | 0.239 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Sr6GaN5 | COD | 4313276 | P6_3/mcm (193) | ✔ | 24 | 196 | 1 | 0.2726 | 0.273 | 0.000 | (0;000) | ✗ | 04/08/17 |
| GaPS4 | ICSD | 2613 | P2_1/c (14) | ✔ | 24 | 168 | 2 | 2.1386 | 2.139 | 0.000 | (0;000) | ✗ | 04/08/17 |
| GaPt2 | COD | 1523391 | Pmma (51) | ✔ | 24 | 264 | 3 | 0.0 | 0.022 | 0.386 | (0;110) | ✗ | 04/08/17 |
| MnGe2Pd3 | ICSD | 637060 | Pnma (62) | ✔ | 24 | 308 | 3 | 0.0 | 0.000 | 0.837 | (1;011) | ✗ | 04/08/17 |
| Na4Ge2Se5 | ICSD | 61401 | P-1 (2) | ✔ | 22 | 148 | 1 | 1.8507 | 1.960 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SrGe2 | ICSD | 152799 | Pnma (62) | ✔ | 24 | 144 | 1 | 0.3597 | 0.594 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Sr2LiGe3 | ICSD | 414575 | Pnnm (58) | ✔ | 24 | 140 | 1 | 0.0 | 0.008 | 0.920 | (1;000) | ✗ | 04/08/17 |
| Li2TiGeO5 | ICSD | 250297 | P4/nmm (129) | ✔ | 18 | 104 | 2 | 3.6252 | 3.899 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiGeTe2 | ICSD | 35676 | P-1 (2) | ✔ | 24 | 114 | 1 | 0.3298 | 0.525 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na2GeS3 | ICSD | 653637 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 2.7259 | 2.726 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na2GeSe3 | ICSD | 49003 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 1.7979 | 1.798 | 0.000 | (0;000) | ✗ | 04/08/17 |
| GeTeRh | ICSD | 260373 | Pbca (61) | ✔ | 24 | 216 | 3 | 0.2684 | 0.277 | 0.000 | (0;000) | ✗ | 04/08/17 |
| GeS2 | COD | 4123671 | I-42d (122) | ✗ | 24 | 128 | 3 | 2.4056 | 2.410 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ta3Ge | ICSD | 637967 | I-4 (82) | ✗ | 16 | 172 | 3 | 0.0 | 0.024 | 0.284 | ? | ✗ | 04/08/17 |
| MgH2 | ICSD | 155811 | Pbca (61) | ✔ | 24 | 96 | 1 | 2.3202 | 2.320 | 0.000 | (0;000) | ✗ | 04/08/17 |
| H2SeO3 | ICSD | 31929 | P2_12_12_1 (19) | ✗ | 24 | 104 | 1 | 4.6454 | 4.832 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ti3H2O7 | COD | 4336945 | C2/m (12) | ✔ | 24 | 160 | 3 | 1.9314 | 1.964 | 0.000 | (0;000) | ✗ | 04/08/17 |
| H2O | COD | 1011024 | Ibam (72) | ✔ | 24 | 64 | 2 | 0.0 | 0.002 | 0.187 | (0;000) | ✗ | 04/08/17 |
| KH3O2 | ICSD | 47114 | P2_1/c (14) | ✔ | 24 | 96 | 1 | 4.2058 | 4.232 | 0.000 | (0;000) | ✗ | 04/08/17 |
| YH3 | ICSD | 154809 | P-3c1 (165) | ✔ | 24 | 84 | 3 | 0.0 | 0.037 | 0.008 | (1;000) | ✗ | 04/08/17 |
| Li4H6Os | ICSD | 638269 | R-3c (167) | ✔ | 22 | 68 | 1 | 2.3096 | 2.310 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Li4RuH6 | ICSD | 638272 | R-3c (167) | ✔ | 22 | 68 | 1 | 2.2498 | 2.250 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na4RuH6 | ICSD | 638362 | R-3c (167) | ✔ | 22 | 116 | 1 | 1.6539 | 1.654 | 0.000 | (0;000) | ✗ | 04/08/17 |
| H7O4 | COD | 9015632 | Ibam (72) | ✔ | 22 | 62 | 2 | 0.0 | 0.000 | 0.810 | (1;111) | ✗ | 04/08/17 |
| KH8N3 | ICSD | 414496 | C222_1 (20) | ✗ | 24 | 64 | 1 | 2.6336 | 2.696 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Mg5H8O9 | COD | 1531175 | P-3m1 (164) | ✔ | 22 | 112 | 1 | 3.7257 | 3.726 | 0.000 | (0;000) | ✗ | 04/08/17 |
| HfMo2 | ICSD | 638615 | P6_3/mmc (194) | ✔ | 24 | 320 | 3 | 0.0 | 0.006 | 0.930 | (0;000) | ✗ | 04/08/17 |
| HfO2 | ICSD | 79913 | Pbca (61) | ✔ | 24 | 192 | 3 | 4.3367 | 4.480 | 0.000 | (0;000) | ✗ | 04/08/17 |
| HfSb2 | ICSD | 66780 | Pnnm (58) | ✔ | 24 | 176 | 3 | 0.0 | 0.043 | 0.303 | (0;000) | ✗ | 04/08/17 |
| HfZn2 | ICSD | 639018 | P6_3/mmc (194) | ✔ | 24 | 288 | 3 | 0.0 | 0.002 | 0.871 | (1;000) | ✗ | 04/08/17 |
| Hg2SeO3 | ICSD | 412302 | P2_1/c (14) | ✔ | 24 | 192 | 3 | 2.3056 | 2.306 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Hg2SeO3 | ICSD | 412303 | Cmc2_1 (36) | ✗ | 24 | 192 | 3 | 2.4068 | 2.445 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Hg2SeO3 | ICSD | 412304 | Ibam (72) | ✔ | 24 | 192 | 3 | 2.4767 | 2.477 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Hg3Se4O5 | COD | 7005928 | P-1 (2) | ✔ | 24 | 180 | 3 | 1.9543 | 2.141 | 0.000 | (0;000) | ✗ | 04/08/17 |
| HgI2 | COD | 2103470 | P4_2/nmc (137) | ✔ | 24 | 208 | 3 | 1.0894 | 1.089 | 0.000 | (0;000) | ✗ | 04/08/17 |
| HgI2 | COD | 9008155 | I4_1/amd (141) | ✔ | 24 | 208 | 3 | 1.2969 | 1.297 | 0.000 | (0;000) | ✗ | 04/08/17 |