▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BH6CN3F4 | ICSD | 202434 | R3m (160) | ✗ | 15 | 56 | 1 | 6.1298 | 6.130 | 0.000 | (0;000) | ✗ | 15/02/17 |
KClO4 | COD | 9011079 | Pnma (62) | ✔ | 24 | 160 | 1 | 6.1057 | 6.136 | 0.000 | (0;000) | ✗ | 04/08/17 |
Zn(CN)2 | ICSD | 66937 | P-43m (215) | ✗ | 10 | 60 | 3 | 6.0028 | 6.146 | 0.000 | (0;000) | ✗ | 06/10/16 |
KF | COD | 9008652 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 6.1456 | 6.146 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiO2 | ICSD | 93975 | P6_422 (181) | ✗ | 9 | 48 | 3 | 5.9324 | 6.151 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaB3H8 | COD | 4337144 | Pmn2_1 (31) | ✗ | 24 | 52 | 1 | 6.0511 | 6.152 | 0.000 | (0;000) | ✗ | 04/08/17 |
K2HfF6 | ICSD | 47244 | Fm-3m (225) | ✔ | 9 | 72 | 1 | 6.1532 | 6.153 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsK(ClO4)2 | ICSD | 22504 | R-3m (166) | ✔ | 12 | 80 | 1 | 6.1528 | 6.157 | 0.000 | (0;000) | ✗ | 02/02/17 |
BH3OF4 | ICSD | 15591 | P-1 (2) | ✔ | 18 | 80 | 1 | 6.1272 | 6.158 | 0.000 | (0;000) | ✗ | 05/01/17 |
CaSnF6 | ICSD | 35713 | Fm-3m (225) | ✔ | 8 | 66 | 1 | 6.1583 | 6.158 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsClO4 | ICSD | 63364 | Pnma (62) | ✔ | 24 | 160 | 1 | 6.149 | 6.169 | 0.000 | (0;000) | ✗ | 04/08/17 |
YPO4 | COD | 9001654 | I4_1/amd (141) | ✔ | 12 | 80 | 3 | 5.9664 | 6.176 | 0.000 | (0;000) | ✗ | 27/01/17 |
Be2BO3F | ICSD | 56847 | C2/c (15) | ✔ | 14 | 72 | 1 | 6.1761 | 6.176 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaSb2F12 | ICSD | 39346 | P1 (1) | ✗ | 15 | 104 | 1 | 0.0 | 6.180 | 1.000 | ? | ✗ | 15/02/17 |
NaBH4 | ICSD | 166446 | Pnma (62) | ✔ | 24 | 64 | 1 | 6.1844 | 6.186 | 0.000 | (0;000) | ✗ | 04/08/17 |
LiAlPHO5 | ICSD | 68921 | P-1 (2) | ✔ | 18 | 84 | 3 | 6.1578 | 6.188 | 0.000 | (0;000) | ✗ | 05/01/17 |
K3SiF7 | ICSD | 23875 | P4/mbm (127) | ✔ | 22 | 160 | 1 | 6.192 | 6.192 | 0.000 | (0;000) | ✗ | 04/08/17 |
KCN | ICSD | 27352 | Cm (8) | ✗ | 3 | 18 | 1 | 5.6021 | 6.193 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li3PO4 | COD | 9012500 | Pmn2_1 (31) | ✗ | 16 | 76 | 1 | 6.1067 | 6.197 | 0.000 | (0;000) | ✗ | 15/02/17 |
CaSiO3 | ICSD | 240411 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 5.0875 | 6.198 | 0.000 | (0;000) | ✗ | 27/01/17 |
BH2C2NF4 | COD | 4300536 | P2_1 (4) | ✗ | 20 | 92 | 1 | 6.197 | 6.204 | 0.000 | (0;000) | ✗ | 21/03/17 |
BaSO4 | ICSD | 186427 | P2_12_12_1 (19) | ✗ | 24 | 160 | 3 | 6.0821 | 6.211 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaBClF4 | ICSD | 188654 | Pmn2_1 (31) | ✗ | 14 | 96 | 1 | 6.2092 | 6.211 | 0.000 | (0;000) | ✗ | 21/03/17 |
SiO2 | COD | 9012605 | P3_121 (152) | ✗ | 9 | 48 | 3 | 6.1021 | 6.226 | 0.000 | (0;000) | ✗ | 15/02/17 |
BH5NCl | ICSD | 248875 | Cmc2_1 (36) | ✗ | 16 | 40 | 1 | 6.0688 | 6.228 | 0.000 | (0;000) | ✗ | 15/02/17 |