Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| H2C2O | COD | 7054714 | P-1 (2) | ✔ | 20 | 64 | 1 | 3.9925 | 4.100 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiS2 | COD | 9016349 | P4_12_12 (92) | ✗ | 12 | 64 | 3 | 1.268 | 1.837 | 0.000 | (0;000) | ✗ | 29/03/17 |
| SiO2 | COD | 9006296 | C2 (5) | ✗ | 12 | 64 | 3 | 5.3101 | 5.310 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CaZrSi2O7 | COD | 9004208 | C2 (5) | ✗ | 11 | 64 | 3 | 4.5504 | 4.594 | 0.000 | (0;000) | ✗ | 15/02/17 |
| As(CN)3 | ICSD | 35330 | C2 (5) | ✗ | 14 | 64 | 2 | 1.6993 | 1.742 | 0.000 | (0;000) | ✗ | 21/03/17 |
| SiC | COD | 2310588 | R3m (160) | ✗ | 16 | 64 | 3 | 1.6136 | 2.745 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Tl2S | ICSD | 27464 | P6_3/mmc (194) | ✔ | 6 | 64 | 1 | 0.5041 | 0.613 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaZrSe3 | ICSD | 616136 | P6_3/mmc (194) | ✔ | 10 | 64 | 1 | 0.0 | 0.005 | 0.254 | (0;000) | ✗ | 02/02/17 |
| NaH4IO2 | COD | 7202888 | P-1 (2) | ✔ | 16 | 64 | 1 | 3.603 | 3.603 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr2H3NO6 | ICSD | 415799 | P-62m (189) | ✗ | 12 | 64 | 1 | 3.355 | 3.611 | 0.000 | (0;000) | ✗ | 15/02/17 |
| InFe2CuSe4 | ICSD | 160047 | I-42m (121) | ✗ | 8 | 64 | 3 | 0.0 | 0.005 | 0.480 | ? | ✗ | 15/02/17 |
| Na3As | COD | 1010293 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.0712 | 0.071 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Cs2GeCl6 | COD | 1010389 | Fm-3m (225) | ✔ | 9 | 64 | 1 | 1.8603 | 1.860 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Al5C3N | COD | 2310415 | P6_3mc (186) | ✗ | 18 | 64 | 3 | 0.0 | 0.726 | 0.092 | (0;000) | ✔ | 24/04/17 |
| H2C2O | COD | 7054718 | P2_1 (4) | ✗ | 20 | 64 | 1 | 3.8994 | 3.899 | 0.000 | (0;000) | ✗ | 21/03/17 |
| YCl3 | COD | 1528118 | C2/m (12) | ✔ | 8 | 64 | 2 | 4.6408 | 4.771 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H2CN2 | COD | 2008559 | Cc (9) | ✗ | 20 | 64 | 1 | 5.2613 | 5.262 | 0.000 | (0;000) | ✗ | 22/03/17 |
| BaCSNCl | ICSD | 94400 | P2_1/m (11) | ✔ | 10 | 64 | 1 | 4.1497 | 4.249 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiP | COD | 9015447 | P2_1/c (14) | ✔ | 16 | 64 | 1 | 0.8201 | 1.112 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZrO2 | COD | 9009919 | Pca2_1 (29) | ✗ | 12 | 64 | 3 | 3.5103 | 3.622 | 0.000 | (0;000) | ✗ | 15/02/17 |
| K3P | ICSD | 25550 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.2826 | 0.362 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbYTe2 | ICSD | 419996 | P6_3/mmc (194) | ✔ | 8 | 64 | 2 | 0.923 | 1.605 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KPS3 | ICSD | 33278 | Immm (71) | ✔ | 10 | 64 | 1 | 1.7043 | 1.718 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H2C2O | COD | 7054719 | P2_1 (4) | ✗ | 20 | 64 | 1 | 3.8651 | 3.865 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BaH4O3 | ICSD | 63017 | Pmc2_1 (26) | ✗ | 16 | 64 | 1 | 4.418 | 4.429 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CdP4 | ICSD | 620212 | P2_1/c (14) | ✔ | 10 | 64 | 2 | 0.4513 | 0.519 | 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 |
| NaTeH6O6F | ICSD | 42 | R3 (146) | ✗ | 15 | 64 | 1 | 3.6488 | 3.725 | 0.000 | (0;000) | ✗ | 15/02/17 |
| GaFe2AgTe4 | ICSD | 192470 | I-42m (121) | ✗ | 8 | 64 | 3 | 0.0 | 0.003 | 0.538 | ? | ✗ | 16/03/17 |
| Zr5Ge3 | ICSD | 76315 | P6_3/mcm (193) | ✔ | 16 | 64 | 3 | 0.0 | 0.001 | 0.563 | (1;000) | ✗ | 02/02/17 |
| SiO2 | COD | 9006297 | P1 (1) | ✗ | 12 | 64 | 3 | 5.0781 | 5.078 | 0.000 | (0;000) | ✗ | 15/02/17 |
| K2SiP2 | ICSD | 36367 | Ibam (72) | ✔ | 10 | 64 | 1 | 1.2106 | 1.784 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Si(CN2)2 | COD | 1526364 | Pn-3m (224) | ✔ | 14 | 64 | 3 | 4.2091 | 4.209 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cu3TeS3Cl | ICSD | 85789 | R3m (160) | ✗ | 8 | 64 | 3 | 0.8482 | 0.848 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SiO2 | COD | 9006290 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.6102 | 5.610 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Cs2PdCl4 | COD | 1532216 | P4/mmm (123) | ✔ | 7 | 64 | 1 | 1.6208 | 1.621 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ScCl3 | ICSD | 74517 | R-3 (148) | ✔ | 8 | 64 | 2 | 3.482 | 3.639 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KBeH3 | COD | 4343937 | P2_1/c (14) | ✔ | 20 | 64 | 1 | 3.2474 | 3.247 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbBeH3 | COD | 4343941 | P2_1/c (14) | ✔ | 20 | 64 | 1 | 3.2803 | 3.280 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrH4O3 | ICSD | 15366 | Pmc2_1 (26) | ✗ | 16 | 64 | 1 | 4.5819 | 4.590 | 0.000 | (0;000) | ✗ | 15/02/17 |
| KSiH3 | ICSD | 65954 | Pnma (62) | ✔ | 20 | 64 | 1 | 2.4026 | 2.403 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na3SO4F | COD | 9000296 | R3m (160) | ✗ | 9 | 64 | 3 | 3.735 | 3.735 | 0.000 | (0;000) | ✗ | 15/02/17 |
| K2PdCl4 | COD | 1010315 | P4/mmm (123) | ✔ | 7 | 64 | 1 | 1.5312 | 1.531 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na3Sb | COD | 1010292 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.2556 | 0.256 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2PtS6 | COD | 9014424 | P-3m1 (164) | ✔ | 9 | 64 | 1 | 0.0749 | 0.078 | 0.000 | (1;000) | ✗ | 02/02/17 |
| SiO2 | ICSD | 154321 | P2_1 (4) | ✗ | 12 | 64 | 1 | 0.0 | 0.002 | 0.694 | ? | ✗ | 29/03/17 |
| BaCdSb2 | ICSD | 52683 | I4/mmm (139) | ✔ | 8 | 64 | 1 | 0.0 | 0.030 | 0.180 | (0;000) | ✗ | 02/02/17 |
| Si3N4 | COD | 1524456 | P6_3 (173) | ✗ | 14 | 64 | 3 | 1.4143 | 1.914 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H2O | COD | 1011024 | Ibam (72) | ✔ | 24 | 64 | 2 | 0.0 | 0.002 | 0.187 | (0;000) | ✗ | 04/08/17 |
| K3Sb | COD | 1010296 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.3606 | 0.361 | 0.000 | (0;000) | ✗ | 02/02/17 |
| 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 |