Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CaC2(SN)2 | ICSD | 412783 | C2/c (15) | ✔ | 14 | 80 | 1 | 3.566 | 3.648 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ga2Te4O11 | COD | 1525950 | P1 (1) | ✗ | 17 | 116 | 3 | 3.5667 | 3.696 | 0.000 | (0;000) | ✗ | 22/03/17 |
| KNO3 | ICSD | 85491 | Pnma (62) | ✔ | 20 | 128 | 1 | 3.5677 | 3.595 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZnCdC4(SN)4 | COD | 2008877 | I-4 (82) | ✗ | 14 | 84 | 3 | 3.5689 | 3.620 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Sn(SeO3)2 | ICSD | 154717 | P2_1/c (14) | ✔ | 18 | 124 | 3 | 3.5691 | 3.902 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BN | ICSD | 186248 | P6_3/mmc (194) | ✔ | 4 | 16 | 2 | 3.5701 | 3.601 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiNbO3 | ICSD | 109458 | R3c (161) | ✗ | 10 | 68 | 3 | 3.5701 | 3.633 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbC | ICSD | 51532 | Pnma (62) | ✔ | 16 | 104 | 1 | 3.5711 | 3.623 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NbGaO4 | ICSD | 18187 | C2 (5) | ✗ | 12 | 100 | 3 | 3.5733 | 3.781 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SnCl4 | ICSD | 411242 | P2_1/c (14) | ✔ | 20 | 168 | 1 | 3.5749 | 3.575 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SbCl3 | ICSD | 8258 | Pnma (62) | ✔ | 16 | 104 | 1 | 3.5764 | 3.619 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Al3BN4 | ICSD | 187051 | P-43m (215) | ✗ | 8 | 32 | 3 | 3.5768 | 3.577 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BBr3 | COD | 1511460 | P6_3/m (176) | ✔ | 8 | 48 | 1 | 3.5808 | 3.886 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2TiO3 | ICSD | 162216 | Cmcm (63) | ✔ | 12 | 96 | 1 | 3.5812 | 3.581 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Zn(HO)2 | COD | 9015545 | P2_12_12_1 (19) | ✗ | 20 | 104 | 3 | 3.5812 | 3.581 | 0.000 | (0;000) | ✗ | 28/03/17 |
| BBr3 | ICSD | 173374 | P2_1/m (11) | ✔ | 8 | 48 | 1 | 3.5823 | 3.889 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na2CdCl4 | ICSD | 69344 | Pbam (55) | ✔ | 14 | 116 | 1 | 3.5843 | 3.600 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Pb7(BrF6)2 | COD | 1519065 | P-6 (174) | ✗ | 21 | 196 | 3 | 3.5865 | 3.621 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KSb(PO4)2 | ICSD | 61788 | R-3 (148) | ✔ | 12 | 72 | 2 | 3.588 | 3.747 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaC | COD | 1521140 | I4_1/acd (142) | ✔ | 16 | 104 | 1 | 3.5905 | 3.703 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbI | COD | 9009738 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 3.5916 | 3.592 | 0.000 | (0;000) | ✗ | 30/01/17 |
| NbAlO4 | ICSD | 24078 | C2/m (12) | ✔ | 12 | 80 | 3 | 3.5921 | 3.832 | 0.000 | (0;000) | ✗ | 05/01/17 |
| GaHO2 | COD | 8100298 | Pnma (62) | ✔ | 16 | 104 | 3 | 3.5929 | 3.638 | 0.000 | (0;000) | ✗ | 27/01/17 |
| N2O | COD | 1010059 | Pa3 (205) | ✔ | 12 | 64 | 1 | 3.5955 | 3.773 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsNa2BO3 | ICSD | 67524 | Pmmn (59) | ✔ | 14 | 96 | 1 | 3.5967 | 3.648 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdSO3 | ICSD | 62640 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 3.5968 | 3.893 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaH2(SO2)2 | ICSD | 40833 | C2 (5) | ✗ | 18 | 94 | 1 | 3.5971 | 3.598 | 0.000 | (0;000) | ✗ | 28/03/17 |
| SeO2 | COD | 9008417 | P4_2/mbc (135) | ✔ | 24 | 144 | 2 | 3.5975 | 3.921 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SnB4O7 | COD | 4001283 | Pmn2_1 (31) | ✗ | 24 | 136 | 3 | 3.5975 | 4.248 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiHS | COD | 1532751 | P4_2/mbc (135) | ✔ | 24 | 80 | 1 | 3.5998 | 3.600 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CaSiSnO5 | COD | 9006655 | C2/c (15) | ✔ | 16 | 116 | 3 | 3.6012 | 3.668 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KTa(BO3)2 | ICSD | 162214 | Pmn2_1 (31) | ✗ | 20 | 128 | 3 | 3.6016 | 3.946 | 0.000 | (0;000) | ✗ | 21/03/17 |
| MgH2 | ICSD | 155808 | Pbcn (60) | ✔ | 12 | 48 | 1 | 3.6029 | 3.778 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaH4IO2 | COD | 7202888 | P-1 (2) | ✔ | 16 | 64 | 1 | 3.603 | 3.603 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiIO3 | ICSD | 14344 | P6_3 (173) | ✗ | 10 | 56 | 1 | 3.6031 | 3.690 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CsSb(PO4)2 | ICSD | 202813 | P-3 (147) | ✔ | 12 | 72 | 2 | 3.6081 | 3.731 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaGaBr4 | ICSD | 69650 | Pnma (62) | ✔ | 24 | 200 | 1 | 3.6083 | 3.608 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ga3PO7 | ICSD | 59364 | R3m (160) | ✗ | 11 | 86 | 3 | 3.6094 | 3.626 | 0.000 | (0;000) | ✗ | 06/10/16 |
| H3N | ICSD | 29321 | P2_13 (198) | ✗ | 16 | 32 | 1 | 3.6115 | 3.612 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Cs2Al2Sb2O7 | ICSD | 154361 | P-3m1 (164) | ✔ | 13 | 76 | 2 | 3.6116 | 3.668 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CaCO3 | ICSD | 186772 | P-1 (2) | ✔ | 20 | 128 | 1 | 3.6119 | 3.614 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2ZrCl6 | COD | 1010224 | Fm-3m (225) | ✔ | 9 | 64 | 1 | 3.6126 | 3.650 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AgC4N3 | COD | 7115405 | Ima2 (46) | ✗ | 16 | 84 | 3 | 3.6159 | 3.621 | 0.000 | (0;000) | ✗ | 21/03/17 |
| LiIO3 | ICSD | 80025 | P6_3 (173) | ✗ | 10 | 56 | 1 | 3.6161 | 3.692 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li3AlH6 | COD | 1532615 | R-3 (148) | ✔ | 20 | 36 | 2 | 3.6166 | 3.945 | 0.000 | (0;000) | ✗ | 05/01/17 |
| HCBr3 | COD | 1504397 | P6_3 (173) | ✗ | 10 | 52 | 1 | 3.6186 | 3.620 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Sc2Si2O7 | COD | 1527983 | Fd-3m (227) | ✔ | 22 | 144 | 3 | 3.6197 | 3.645 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Bi(BO2)3 | ICSD | 245896 | C2 (5) | ✗ | 10 | 50 | 3 | 3.6229 | 4.001 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb2MoO4 | ICSD | 24904 | C2/m (12) | ✔ | 14 | 112 | 1 | 3.6232 | 3.714 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Bi(BO2)3 | ICSD | 245889 | C2 (5) | ✗ | 10 | 50 | 3 | 3.625 | 4.005 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li2TiGeO5 | ICSD | 250297 | P4/nmm (129) | ✔ | 18 | 104 | 2 | 3.6252 | 3.899 | 0.000 | (0;000) | ✗ | 04/08/17 |
| YNbO4 | COD | 9011436 | C2/c (15) | ✔ | 12 | 96 | 3 | 3.6266 | 3.747 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sn3F8 | ICSD | 61162 | P2_1/c (14) | ✔ | 22 | 196 | 3 | 3.6323 | 3.667 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Bi(BO2)3 | ICSD | 245893 | C2 (5) | ✗ | 10 | 50 | 3 | 3.6325 | 4.010 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaIF | COD | 9011175 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 3.635 | 3.635 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Bi(BO2)3 | ICSD | 245890 | C2 (5) | ✗ | 10 | 50 | 3 | 3.6363 | 4.007 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZnSiO3 | COD | 2106565 | C2/c (15) | ✔ | 20 | 136 | 3 | 3.6364 | 3.782 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MgCN2 | ICSD | 75039 | R-3m (166) | ✔ | 4 | 24 | 3 | 3.6366 | 4.688 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Bi(BO2)3 | ICSD | 245894 | C2 (5) | ✗ | 10 | 50 | 3 | 3.6372 | 4.021 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaHBr | COD | 9009166 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 3.6383 | 4.028 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Bi(BO2)3 | ICSD | 48025 | C2 (5) | ✗ | 10 | 50 | 3 | 3.639 | 4.023 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na4CO4 | ICSD | 245414 | Cm (8) | ✗ | 9 | 64 | 2 | 3.6393 | 3.918 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SiF4 | COD | 1010134 | Pn-3m (224) | ✔ | 10 | 64 | 3 | 3.6397 | 3.760 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrN6 | ICSD | 35226 | Fddd (70) | ✔ | 14 | 80 | 1 | 3.6409 | 3.751 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Bi(BO2)3 | ICSD | 245895 | C2 (5) | ✗ | 10 | 50 | 3 | 3.6421 | 4.024 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbYO2 | ICSD | 49651 | R-3m (166) | ✔ | 4 | 32 | 3 | 3.6441 | 3.794 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Bi(BO2)3 | ICSD | 245897 | C2 (5) | ✗ | 10 | 50 | 3 | 3.6445 | 4.025 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K3TaF8 | COD | 2017527 | P6_3mc (186) | ✗ | 24 | 192 | 1 | 3.6455 | 3.650 | 0.000 | (0;000) | ✗ | 04/08/17 |
| MgO | ICSD | 161842 | P6_3mc (186) | ✗ | 4 | 32 | 3 | 3.6457 | 3.646 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Bi(BO2)3 | ICSD | 245892 | C2 (5) | ✗ | 10 | 50 | 3 | 3.6481 | 4.036 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ta2O5 | COD | 2102123 | C2/c (15) | ✔ | 14 | 112 | 3 | 3.6486 | 3.867 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaTeH6O6F | ICSD | 42 | R3 (146) | ✗ | 15 | 64 | 1 | 3.6488 | 3.725 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CaO | COD | 9006708 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 3.649 | 4.030 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PbSO4 | COD | 9004484 | Pnma (62) | ✔ | 24 | 176 | 3 | 3.6491 | 3.860 | 0.000 | (0;000) | ✗ | 04/08/17 |
| MgMoO4 | COD | 2300504 | C2/m (12) | ✔ | 24 | 192 | 3 | 3.651 | 3.723 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Rb2HBrO | ICSD | 78735 | P2_1/m (11) | ✔ | 10 | 64 | 1 | 3.6511 | 3.671 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiCO2 | ICSD | 173993 | P2_1/c (14) | ✔ | 16 | 76 | 1 | 3.6516 | 3.677 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaH4(IO)2 | ICSD | 407360 | C2/c (15) | ✔ | 18 | 80 | 1 | 3.6524 | 3.669 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba4I6O | COD | 2200255 | P6_3mc (186) | ✗ | 22 | 176 | 1 | 3.6527 | 3.754 | 0.000 | (0;000) | ✗ | 07/08/17 |
| SbRhSe | ICSD | 650254 | P2_13 (198) | ✗ | 12 | 112 | 3 | 3.6539 | 1.142 | 1.000 | (0;000) | ✗ | 06/10/16 |
| H4C3O2 | COD | 2003673 | P1 (1) | ✗ | 18 | 56 | 1 | 3.6547 | 3.754 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BaSnF4 | ICSD | 166207 | P4/nmm (129) | ✔ | 12 | 104 | 1 | 3.6554 | 3.729 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KI | COD | 9009735 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 3.6596 | 3.660 | 0.000 | (0;000) | ✗ | 30/01/17 |
| AlTlBr4 | ICSD | 419829 | P2/c (13) | ✔ | 24 | 176 | 1 | 3.6609 | 3.678 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ca7(H6Cl)2 | ICSD | 420927 | P-6 (174) | ✗ | 21 | 96 | 1 | 3.6609 | 3.728 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Sr2CaTeO6 | ICSD | 414435 | P2_1/c (14) | ✔ | 20 | 144 | 1 | 3.6612 | 3.716 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MgCN2 | ICSD | 44110 | I-42d (122) | ✗ | 8 | 48 | 3 | 3.6613 | 3.869 | 0.000 | (0;000) | ✗ | 07/10/16 |
| ReClO3 | ICSD | 416751 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 3.6638 | 3.734 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2Al2As2O7 | ICSD | 154363 | Imm2 (44) | ✗ | 13 | 76 | 3 | 3.6661 | 3.726 | 0.000 | (0;000) | ✗ | 16/03/17 |
| LiIO3 | ICSD | 40358 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.6715 | 3.741 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SnF2 | ICSD | 14195 | P4_12_12 (92) | ✗ | 12 | 112 | 3 | 3.6722 | 3.814 | 0.000 | (0;000) | ✗ | 22/03/17 |
| NaC4N3 | ICSD | 31926 | P-1 (2) | ✔ | 16 | 80 | 1 | 3.6724 | 3.698 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K3YV2O8 | ICSD | 248843 | P-3m1 (164) | ✔ | 14 | 112 | 3 | 3.6731 | 3.772 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrI2 | COD | 9008163 | Pbca (61) | ✔ | 24 | 192 | 1 | 3.674 | 3.674 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Li3TeHO4 | ICSD | 38036 | P2_1/m (11) | ✔ | 18 | 80 | 1 | 3.6746 | 3.978 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2ZnBr4 | COD | 2001701 | P2_1/m (11) | ✔ | 14 | 116 | 1 | 3.6748 | 3.675 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li2ZrO3 | ICSD | 31941 | Cc (9) | ✗ | 12 | 56 | 3 | 3.6749 | 3.930 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KCdCl3 | ICSD | 33281 | Pnma (62) | ✔ | 20 | 168 | 2 | 3.676 | 3.816 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li8SnO6 | COD | 1528146 | R-3 (148) | ✔ | 15 | 74 | 1 | 3.6772 | 3.690 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2ZnH4(SeO5)2 | ICSD | 98685 | P-1 (2) | ✔ | 19 | 106 | 2 | 3.678 | 3.780 | 0.000 | (0;000) | ✗ | 02/02/17 |