Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CsPS3 | ICSD | 33277 | Immm (71) | ✔ | 10 | 64 | 1 | 1.9334 | 1.954 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaAl2B2O7 | ICSD | 409171 | R32 (155) | ✗ | 12 | 64 | 2 | 4.8336 | 4.843 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Rb2HBrO | ICSD | 78735 | P2_1/m (11) | ✔ | 10 | 64 | 1 | 3.6511 | 3.671 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TiSi | ICSD | 166580 | Pmm2 (25) | ✗ | 8 | 64 | 3 | 0.0 | 0.005 | 0.387 | (0;000) | ✔ | 11/04/17 |
| SiO2 | COD | 9006286 | Pna2_1 (33) | ✗ | 12 | 64 | 3 | 5.693 | 5.821 | 0.000 | (0;000) | ✗ | 15/02/17 |
| B4CCl6O | ICSD | 280617 | R3m (160) | ✗ | 12 | 64 | 1 | 4.1136 | 4.192 | 0.000 | (0;000) | ✗ | 22/03/17 |
| BaMg(CO3)2 | ICSD | 193059 | R-3m (166) | ✔ | 10 | 64 | 2 | 4.141 | 4.238 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CS2 | COD | 9014813 | P4_12_12 (92) | ✗ | 12 | 64 | 3 | 0.2875 | 0.641 | 0.000 | (0;000) | ✔ | 11/04/17 |
| NaTi2HO5 | ICSD | 162109 | P1 (1) | ✗ | 9 | 64 | 2 | 0.0 | 0.029 | 0.322 | (0;000) | ✔ | 15/02/17 |
| H4S(NO)2 | ICSD | 62522 | Fdd2 (43) | ✗ | 18 | 64 | 1 | 6.3226 | 6.356 | 0.000 | (0;000) | ✗ | 15/02/17 |
| KH4O2F | ICSD | 165371 | Pmc2_1 (26) | ✗ | 16 | 64 | 1 | 5.3586 | 5.525 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SiO2 | COD | 9006307 | P1 (1) | ✗ | 12 | 64 | 3 | 0.856 | 0.909 | 0.000 | (0;000) | ✗ | 15/02/17 |
| K2PtS6 | COD | 9014681 | P-3m1 (164) | ✔ | 9 | 64 | 1 | 0.0611 | 0.079 | 0.000 | (1;000) | ✗ | 02/02/17 |
| H4C4SO | COD | 2010884 | P-1 (2) | ✔ | 20 | 64 | 1 | 1.3594 | 1.421 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Zr3N4 | ICSD | 191584 | I-43d (220) | ✗ | 14 | 64 | 3 | 0.3285 | 0.329 | 0.000 | (0;000) | ✔ | 15/02/17 |
| SiC | ICSD | 24630 | P6_3mc (186) | ✗ | 16 | 64 | 3 | 1.78 | 2.877 | 0.000 | (0;000) | ✗ | 15/02/17 |
| K3N | COD | 1529114 | P6_3/mcm (193) | ✔ | 8 | 64 | 1 | 0.0 | 0.004 | 0.203 | (0;000) | ✗ | 02/02/17 |
| SbS2NCl6 | ICSD | 2441 | Immm (71) | ✔ | 10 | 64 | 1 | 1.8567 | 1.857 | 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 |
| SiO2 | COD | 9006300 | P1 (1) | ✗ | 12 | 64 | 3 | 2.6958 | 2.696 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ca2IN | ICSD | 65216 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.0 | 0.013 | 0.142 | (1;000) | ✗ | 02/02/17 |
| H3C2N | COD | 2103498 | P2_1/c (14) | ✔ | 24 | 64 | 1 | 7.2294 | 7.259 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K2HBrO | ICSD | 78734 | P2_1/m (11) | ✔ | 10 | 64 | 1 | 3.7379 | 3.738 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2ZrCl6 | COD | 1010223 | Fm-3m (225) | ✔ | 9 | 64 | 1 | 3.5199 | 3.520 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb3Sb | ICSD | 77991 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.1219 | 0.176 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiO2 | COD | 9006301 | I2_12_12_1 (24) | ✗ | 12 | 64 | 3 | 5.4633 | 5.532 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BaS | COD | 9016579 | Pnma (62) | ✔ | 8 | 64 | 1 | 1.0583 | 1.097 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MgGeO3 | COD | 9003756 | R-3 (148) | ✔ | 10 | 64 | 3 | 4.5416 | 4.571 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsNbF6 | ICSD | 412444 | R-3 (148) | ✔ | 8 | 64 | 1 | 5.9823 | 6.038 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AlPS4 | ICSD | 428184 | P-42c (112) | ✗ | 12 | 64 | 2 | 2.6819 | 2.883 | 0.000 | (0;000) | ✗ | 07/10/16 |
| AlPO4 | ICSD | 279582 | P6_3mc (186) | ✗ | 12 | 64 | 3 | 5.6277 | 5.628 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlPO4 | ICSD | 280772 | P2_1 (4) | ✗ | 12 | 64 | 3 | 5.6811 | 5.681 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlPO4 | ICSD | 280773 | P2_1 (4) | ✗ | 12 | 64 | 3 | 5.6822 | 5.682 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlPO4 | ICSD | 417474 | P2_1 (4) | ✗ | 12 | 64 | 3 | 5.6739 | 5.674 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlPO4 | ICSD | 417475 | P2_1 (4) | ✗ | 12 | 64 | 3 | 5.6317 | 5.634 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlPO4 | ICSD | 97546 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.5105 | 5.511 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlPO4 | ICSD | 98378 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.7685 | 5.769 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlPO4 | ICSD | 98379 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.7722 | 5.772 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlPO4 | ICSD | 98380 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.7731 | 5.773 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlPO4 | ICSD | 98381 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.7718 | 5.772 | 0.000 | (0;000) | ✗ | 06/10/16 |
| POF3 | ICSD | 250498 | P-3m1 (164) | ✔ | 10 | 64 | 1 | 6.2121 | 6.319 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AlPO4 | ICSD | 98382 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.7756 | 5.776 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlPO4 | ICSD | 98383 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.7651 | 5.765 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K4CO4 | ICSD | 245419 | I-42m (121) | ✗ | 9 | 64 | 1 | 0.7444 | 0.744 | 0.000 | (0;000) | ✗ | 07/10/16 |
| AlPO4 | ICSD | 98384 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.7822 | 5.782 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na4CO4 | ICSD | 245408 | I-42m (121) | ✗ | 9 | 64 | 1 | 3.1526 | 3.153 | 0.000 | (0;000) | ✗ | 07/10/16 |
| Rb4CO4 | ICSD | 245431 | I-42m (121) | ✗ | 9 | 64 | 1 | 0.7962 | 0.908 | 0.000 | (0;000) | ✗ | 07/10/16 |
| AlPS4 | ICSD | 15910 | P222 (16) | ✗ | 12 | 64 | 2 | 1.5836 | 1.670 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZrMo2 | COD | 1522745 | Fd-3m (227) | ✔ | 6 | 64 | 3 | 0.0 | 0.000 | 0.693 | (0;000) | ✗ | 27/01/17 |
| Ge3N4 | ICSD | 97568 | Fd-3m (227) | ✔ | 14 | 64 | 3 | 1.9214 | 1.958 | 0.000 | (0;000) | ✗ | 27/01/17 |