Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Mg2PN3 | ICSD | 50224 | Cmc2_1 (36) | ✗ | 12 | 80 | 3 | 3.7075 | 4.301 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca5B3O9F | ICSD | 69537 | Cm (8) | ✗ | 18 | 120 | 1 | 4.3024 | 4.302 | 0.000 | (0;000) | ✗ | 21/03/17 |
| RbN3 | ICSD | 34273 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 4.3028 | 4.303 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb2NaBiF6 | ICSD | 9386 | Fm-3m (225) | ✔ | 10 | 84 | 1 | 4.1294 | 4.307 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Cs2LiAsO4 | ICSD | 36645 | Cmc2_1 (36) | ✗ | 16 | 100 | 1 | 4.2956 | 4.307 | 0.000 | (0;000) | ✗ | 21/03/17 |
| KReO4 | COD | 2106705 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 4.3067 | 4.307 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P(CF3)2 | COD | 4321851 | P-1 (2) | ✔ | 18 | 110 | 1 | 4.1715 | 4.308 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaCSN | ICSD | 953 | Pnma (62) | ✔ | 16 | 96 | 1 | 4.1824 | 4.311 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaZr(PO4)2 | ICSD | 153124 | C2/m (12) | ✔ | 12 | 72 | 2 | 4.2542 | 4.311 | 0.000 | (0;000) | ✗ | 05/01/17 |
| K3SeO4F | ICSD | 82750 | I4/mcm (140) | ✔ | 18 | 128 | 3 | 4.1863 | 4.311 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbLiBr2 | ICSD | 30719 | Cmcm (63) | ✔ | 8 | 52 | 1 | 4.3123 | 4.312 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li7Br3O2 | ICSD | 67264 | I4/mmm (139) | ✔ | 12 | 54 | 1 | 4.0341 | 4.314 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BeSe | ICSD | 183374 | F-43m (216) | ✗ | 2 | 10 | 1 | 2.4499 | 4.314 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cd | COD | 4030924 | P-1 (2) | ✔ | 1 | 12 | 1 | 4.3147 | 4.315 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr2TaInO6 | ICSD | 188417 | P2_1/c (14) | ✔ | 20 | 164 | 3 | 4.2964 | 4.316 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiScAs2O7 | ICSD | 161499 | C2 (5) | ✗ | 11 | 66 | 3 | 4.194 | 4.317 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SrCN2 | ICSD | 75040 | Pnma (62) | ✔ | 16 | 96 | 1 | 3.7125 | 4.317 | 0.000 | (0;000) | ✗ | 02/02/17 |
| GeF2 | COD | 1528938 | P2_12_12_1 (19) | ✗ | 12 | 72 | 1 | 4.0428 | 4.319 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Li3BrO | ICSD | 67265 | Pm-3m (221) | ✔ | 5 | 22 | 1 | 4.0589 | 4.319 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2Li2SiO4 | ICSD | 33809 | P-1 (2) | ✔ | 18 | 104 | 2 | 4.1815 | 4.319 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba(BrO3)2 | ICSD | 40287 | Fdd2 (43) | ✗ | 18 | 120 | 1 | 4.3085 | 4.319 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Y3BrO4 | ICSD | 419384 | Cmcm (63) | ✔ | 16 | 128 | 3 | 4.3204 | 4.320 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaN3Cl | ICSD | 418423 | P2_1/m (11) | ✔ | 10 | 64 | 1 | 4.1365 | 4.321 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Sr(BrO3)2 | ICSD | 61158 | Cc (9) | ✗ | 18 | 120 | 1 | 4.2156 | 4.324 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Y2O3 | ICSD | 181826 | C2/m (12) | ✔ | 15 | 120 | 3 | 4.1158 | 4.327 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaH4(BrO)2 | ICSD | 33949 | C2/c (15) | ✔ | 18 | 80 | 1 | 4.3322 | 4.332 | 0.000 | (0;000) | ✗ | 02/02/17 |
| B4PbO7 | ICSD | 185673 | Pmn2_1 (31) | ✗ | 24 | 136 | 3 | 3.7884 | 4.333 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Mg2SiO4 | COD | 9000274 | Pbam (55) | ✔ | 14 | 96 | 3 | 4.3337 | 4.334 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AgB(CN)4 | ICSD | 411179 | P-43m (215) | ✗ | 10 | 50 | 3 | 4.2688 | 4.338 | 0.000 | (0;000) | ✗ | 15/02/17 |
| AlH2PbO2F3 | ICSD | 79740 | P-1 (2) | ✔ | 18 | 104 | 2 | 4.138 | 4.338 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CaHCl | COD | 9009165 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 4.3405 | 4.341 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MgMoH2O5 | ICSD | 202695 | P-1 (2) | ✔ | 18 | 112 | 3 | 4.2496 | 4.341 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Y2O3 | ICSD | 192864 | P-3m1 (164) | ✔ | 5 | 40 | 3 | 3.7363 | 4.341 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K3Na(SeO4)2 | COD | 2101023 | P-3m1 (164) | ✔ | 14 | 96 | 1 | 4.281 | 4.343 | 0.000 | (0;000) | ✗ | 02/02/17 |
| GaBO3 | COD | 1520321 | R-3c (167) | ✔ | 10 | 68 | 3 | 4.3438 | 4.344 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Si3N4 | COD | 1001249 | P6_3/m (176) | ✔ | 14 | 64 | 3 | 3.8214 | 4.349 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ca(HO)2 | COD | 9000113 | P-3m1 (164) | ✔ | 5 | 24 | 1 | 4.3495 | 4.350 | 0.000 | (0;000) | ✗ | 27/01/17 |
| InAsF6 | ICSD | 417952 | R-3 (148) | ✔ | 8 | 60 | 1 | 4.2374 | 4.350 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CsPSO2 | ICSD | 20543 | P-1 (2) | ✔ | 20 | 128 | 1 | 4.3524 | 4.352 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cl2O7 | ICSD | 63680 | C2/c (15) | ✔ | 18 | 112 | 1 | 4.2757 | 4.354 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZrP2O7 | COD | 2102118 | Pnnm (58) | ✔ | 20 | 112 | 3 | 4.355 | 4.355 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Al2ZnO4 | COD | 9007027 | Fd-3m (227) | ✔ | 14 | 84 | 3 | 4.3543 | 4.357 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Rb2WO4 | ICSD | 24905 | C2/m (12) | ✔ | 14 | 140 | 1 | 4.2379 | 4.358 | 0.000 | (0;000) | ✗ | 11/04/17 |
| Sr4Br6O | ICSD | 418452 | P6_3mc (186) | ✗ | 22 | 176 | 1 | 4.3606 | 4.361 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cs2NaBiF6 | ICSD | 9382 | Fm-3m (225) | ✔ | 10 | 84 | 1 | 3.9382 | 4.363 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaZnBO3F | ICSD | 248042 | P-6 (174) | ✗ | 7 | 50 | 3 | 3.7899 | 4.365 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Sr3V2O8 | ICSD | 167701 | R-3m (166) | ✔ | 13 | 104 | 1 | 4.1826 | 4.367 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2SiO3 | ICSD | 15388 | Cmc2_1 (36) | ✗ | 12 | 80 | 1 | 4.0781 | 4.370 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlTlCl4 | ICSD | 419828 | Pnma (62) | ✔ | 24 | 176 | 1 | 4.3391 | 4.370 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cs2Li2TiO4 | ICSD | 33810 | P-1 (2) | ✔ | 18 | 120 | 2 | 4.2643 | 4.371 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LaCl3 | ICSD | 23146 | P2_1/m (11) | ✔ | 8 | 48 | 3 | 4.3718 | 4.372 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Zn(ReO4)2 | ICSD | 51017 | P-3 (147) | ✔ | 11 | 90 | 3 | 4.3345 | 4.374 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KC2IN2 | ICSD | 40370 | C2/m (12) | ✔ | 6 | 34 | 1 | 4.3089 | 4.378 | 0.000 | (0;000) | ✗ | 21/03/17 |
| As2SO6 | COD | 9012888 | P2_12_12 (18) | ✗ | 18 | 104 | 2 | 4.374 | 4.378 | 0.000 | (0;000) | ✗ | 21/03/17 |
| H5(CO)3 | COD | 2008148 | C2 (5) | ✗ | 22 | 70 | 1 | 4.3743 | 4.379 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SiO2 | ICSD | 75665 | Pm (6) | ✗ | 12 | 64 | 3 | 3.8179 | 4.380 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SrHBrO | ICSD | 407720 | C2/m (12) | ✔ | 8 | 48 | 1 | 4.3807 | 4.381 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaCl | COD | 2104025 | Pm-3m (221) | ✔ | 2 | 16 | 3 | 4.381 | 4.381 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaSn(PO4)2 | COD | 7001616 | C2/m (12) | ✔ | 12 | 82 | 2 | 4.3034 | 4.396 | 0.000 | (0;000) | ✗ | 05/01/17 |
| KC2N3 | ICSD | 411931 | P2_1/c (14) | ✔ | 24 | 128 | 1 | 4.3977 | 4.398 | 0.000 | (0;000) | ✗ | 04/08/17 |
| H5C2N2Cl | COD | 7203167 | P2_1 (4) | ✗ | 20 | 60 | 1 | 4.3968 | 4.400 | 0.000 | (0;000) | ✗ | 21/03/17 |
| GeCl4 | COD | 2012797 | P2_1/c (14) | ✔ | 20 | 128 | 1 | 4.342 | 4.405 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsHCO2 | ICSD | 172202 | Pbcm (57) | ✔ | 20 | 104 | 1 | 4.4038 | 4.408 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PO2 | ICSD | 42777 | C2/c (15) | ✔ | 24 | 136 | 1 | 4.3291 | 4.408 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsK2Sc(PO4)2 | ICSD | 61787 | P-3m1 (164) | ✔ | 14 | 96 | 3 | 4.3143 | 4.408 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsSb2F7 | COD | 4343796 | C2/c (15) | ✔ | 20 | 136 | 1 | 4.3589 | 4.409 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsCSN | ICSD | 60871 | Pnma (62) | ✔ | 16 | 96 | 1 | 4.4093 | 4.410 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li2MgBr4 | ICSD | 73276 | Cmmm (65) | ✔ | 7 | 44 | 2 | 4.4109 | 4.411 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaSi6N8O | ICSD | 415272 | Imm2 (44) | ✗ | 16 | 80 | 3 | 4.3246 | 4.411 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SrZnCl4 | ICSD | 410191 | I4_1/a (88) | ✔ | 12 | 100 | 1 | 4.4129 | 4.413 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaZnSO4F | ICSD | 262274 | C2/c (15) | ✔ | 16 | 116 | 3 | 4.4205 | 4.421 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaH4O3 | ICSD | 63017 | Pmc2_1 (26) | ✗ | 16 | 64 | 1 | 4.418 | 4.429 | 0.000 | (0;000) | ✗ | 15/02/17 |
| AlN | ICSD | 82790 | P6_3mc (186) | ✗ | 4 | 16 | 3 | 4.4303 | 4.430 | 0.000 | (0;000) | ✗ | 06/10/16 |
| HfGeO4 | COD | 1001684 | I4_1/a (88) | ✔ | 12 | 80 | 3 | 4.3629 | 4.433 | 0.000 | (0;000) | ✗ | 27/01/17 |
| H4CN | COD | 2100668 | P2_1/c (14) | ✔ | 24 | 52 | 1 | 4.4325 | 4.433 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsCdF3 | ICSD | 49582 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 3.4268 | 4.435 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaZn(SiO3)2 | COD | 2014614 | C2/c (15) | ✔ | 20 | 132 | 3 | 4.3367 | 4.435 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba4Br6O | ICSD | 391435 | P6_3mc (186) | ✗ | 22 | 176 | 1 | 4.3875 | 4.435 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaGaCl4 | ICSD | 425228 | P2_12_12_1 (19) | ✗ | 24 | 200 | 1 | 4.437 | 4.438 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KCaCO3F | COD | 2203515 | P-6m2 (187) | ✗ | 7 | 48 | 1 | 4.4344 | 4.439 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaScO2 | ICSD | 25729 | R-3m (166) | ✔ | 4 | 32 | 2 | 3.7686 | 4.439 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2Ca(CO3)2 | COD | 9009292 | R-3m (166) | ✔ | 11 | 72 | 1 | 4.4404 | 4.440 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnPd(CN)4 | ICSD | 169759 | P4_2/mcm (132) | ✔ | 20 | 132 | 3 | 4.4419 | 4.446 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CBrF2 | COD | 7200672 | P2_1/c (14) | ✔ | 16 | 100 | 1 | 4.3722 | 4.447 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaBeSiO4 | ICSD | 86792 | Cm (8) | ✗ | 7 | 42 | 1 | 4.4044 | 4.449 | 0.000 | (0;000) | ✗ | 15/02/17 |
| KN3 | COD | 1010391 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 4.4493 | 4.449 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SbPO4 | ICSD | 62977 | P2_1/m (11) | ✔ | 12 | 68 | 2 | 0.0 | 4.450 | 1.000 | (0;000) | ✗ | 27/01/17 |
| Rb3YF6 | COD | 1529659 | I4/mmm (139) | ✔ | 10 | 80 | 1 | 4.4515 | 4.452 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li4GeO4 | COD | 9008154 | Cmcm (63) | ✔ | 18 | 80 | 1 | 4.4557 | 4.456 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs3H(SeO4)2 | COD | 2100808 | C2/m (12) | ✔ | 14 | 88 | 1 | 4.4215 | 4.457 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MgSiO3 | COD | 2105685 | C2/c (15) | ✔ | 20 | 128 | 3 | 4.4588 | 4.459 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na2SeO3 | COD | 9007931 | P2_1/c (14) | ✔ | 24 | 168 | 1 | 4.4238 | 4.459 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsAlBr4 | ICSD | 83435 | Pnma (62) | ✔ | 24 | 160 | 1 | 4.4615 | 4.462 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaCO3 | COD | 1011149 | Pnma (62) | ✔ | 20 | 128 | 2 | 4.4216 | 4.463 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsHC2 | ICSD | 107491 | R3c (161) | ✗ | 24 | 108 | 1 | 4.3992 | 4.467 | 0.000 | (0;000) | ✗ | 04/08/17 |
| GeP2O7 | ICSD | 74876 | P-1 (2) | ✔ | 20 | 112 | 3 | 4.4444 | 4.469 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiH2BrO | ICSD | 391154 | Cmcm (63) | ✔ | 20 | 72 | 1 | 4.4428 | 4.473 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TaPO5 | ICSD | 87281 | P4/n (85) | ✔ | 14 | 96 | 3 | 4.0586 | 4.475 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ba(BrO3)2 | ICSD | 66035 | C2/c (15) | ✔ | 18 | 120 | 1 | 4.4622 | 4.477 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbReO4 | ICSD | 73297 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 4.4777 | 4.478 | 0.000 | (0;000) | ✗ | 02/02/17 |