▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
SbSI | ICSD | 28306 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.3559 | 1.468 | 0.000 | (0;000) | ✗ | 06/10/16 |
SbSI | ICSD | 41589 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.3524 | 1.490 | 0.000 | (0;000) | ✗ | 06/10/16 |
MgH4(CO)2 | COD | 2102790 | C2/m (12) | ✔ | 9 | 34 | 1 | 0.0 | 0.004 | 0.546 | (0;000) | ✗ | 27/01/17 |
H4C2NO2 | ICSD | 172054 | C2/m (12) | ✔ | 18 | 58 | 1 | 2.951 | 2.996 | 0.000 | (0;000) | ✗ | 27/01/17 |
Be(H3C)2 | COD | 5900008 | Ibam (72) | ✔ | 18 | 36 | 1 | 4.8496 | 4.850 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiScI3 | ICSD | 73339 | P-6c2 (188) | ✗ | 10 | 70 | 1 | 0.0 | 0.000 | 0.689 | ? | ✗ | 06/10/16 |
H(CO)2 | ICSD | 151146 | P2_1/m (11) | ✔ | 20 | 84 | 1 | 2.7476 | 2.853 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2Mg(CO3)2 | ICSD | 31295 | R-3m (166) | ✔ | 11 | 72 | 1 | 4.2143 | 4.214 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2TeC2 | COD | 7220792 | P-3m1 (164) | ✔ | 5 | 20 | 1 | 0.0 | 0.036 | 0.234 | (0;000) | ✗ | 27/01/17 |
Li(CO)2 | ICSD | 154354 | C2/m (12) | ✔ | 10 | 46 | 1 | 2.1698 | 2.525 | 0.000 | (0;000) | ✗ | 27/01/17 |
ClF | ICSD | 406442 | P2_1/c (14) | ✔ | 8 | 56 | 1 | 2.4667 | 2.494 | 0.000 | (0;000) | ✗ | 27/01/17 |
InCl | ICSD | 2431 | Cc2m (40) | ✗ | 4 | 40 | 1 | 1.4421 | 1.528 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbSb | ICSD | 191491 | F-43m (216) | ✗ | 2 | 14 | 1 | 0.0 | 0.000 | 0.134 | (0;000) | ✔ | 06/10/16 |
InPS4 | ICSD | 23612 | I-4 (82) | ✗ | 6 | 42 | 1 | 0.0 | 0.012 | 0.255 | (0;001) | ✔ | 06/10/16 |
Na2Mg(CO3)2 | COD | 9009293 | R-3 (148) | ✔ | 11 | 72 | 1 | 4.5324 | 4.554 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na2TeC2 | COD | 7220793 | I4/mmm (139) | ✔ | 5 | 32 | 1 | 1.5257 | 1.827 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb(CO)2 | ICSD | 154356 | C2/m (12) | ✔ | 10 | 58 | 1 | 2.7302 | 2.822 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrC2 | COD | 1522125 | I4/mmm (139) | ✔ | 3 | 18 | 1 | 1.9456 | 2.680 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbSb2 | ICSD | 419402 | C2/m (12) | ✔ | 6 | 38 | 1 | 0.3062 | 0.713 | 0.000 | (0;000) | ✔ | 02/02/17 |
SrC2 | COD | 1522127 | C2/c (15) | ✔ | 6 | 36 | 1 | 2.457 | 2.716 | 0.000 | (0;000) | ✗ | 27/01/17 |
BH4C3O2 | COD | 2204051 | P-1 (2) | ✔ | 20 | 62 | 1 | 3.5427 | 3.639 | 0.000 | (0;000) | ✗ | 27/01/17 |
H4C3O2 | COD | 2203632 | P-1 (2) | ✔ | 18 | 56 | 1 | 3.317 | 3.317 | 0.000 | (0;000) | ✗ | 27/01/17 |
H5C3NCl | COD | 7101077 | P-1 (2) | ✔ | 20 | 58 | 1 | 3.3502 | 3.410 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2Se3 | ICSD | 14093 | Ccm2_1 (36) | ✗ | 10 | 72 | 1 | 0.7189 | 0.828 | 0.000 | (0;000) | ✗ | 06/10/16 |
H6C3O | COD | 7110463 | Cmcm (63) | ✔ | 20 | 48 | 1 | 3.687 | 3.820 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiCa2HC3 | ICSD | 261184 | P4/mbm (127) | ✔ | 14 | 72 | 1 | 1.2698 | 1.552 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb(CO)3 | COD | 7051226 | C2/m (12) | ✔ | 14 | 78 | 1 | 1.0399 | 1.080 | 0.000 | (0;000) | ✗ | 27/01/17 |
Hg(C2F3)2 | ICSD | 165635 | P-1 (2) | ✔ | 11 | 70 | 1 | 3.4881 | 3.797 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrPb | ICSD | 105623 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.038 | 0.256 | (0;110) | ✗ | 06/10/16 |
C5S3 | COD | 4109719 | Immm (71) | ✔ | 8 | 38 | 1 | 0.0 | 0.005 | 0.705 | (0;111) | ✗ | 27/01/17 |
Ca2NCl | ICSD | 62555 | R-3m (166) | ✔ | 4 | 32 | 1 | 2.3335 | 2.334 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca2CrN3 | COD | 7012864 | P-1 (2) | ✔ | 12 | 98 | 1 | 0.9093 | 1.042 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2Fe2S2OF2 | ICSD | 249688 | I4/mmm (139) | ✔ | 9 | 68 | 1 | 0.0 | 0.003 | 0.475 | (0;000) | ✗ | 27/01/17 |
Sr2Fe2Se2OF2 | ICSD | 249690 | I4/mmm (139) | ✔ | 9 | 68 | 1 | 0.0 | 0.006 | 0.442 | (0;000) | ✗ | 27/01/17 |
Ca2FeN2 | ICSD | 72389 | C2/m (12) | ✔ | 10 | 76 | 1 | 0.0 | 0.006 | 0.480 | (0;111) | ✗ | 27/01/17 |
Ca2GeO4 | ICSD | 182051 | P-3m1 (164) | ✔ | 14 | 96 | 1 | 1.1021 | 1.102 | 0.000 | (0;000) | ✗ | 27/01/17 |
H4NF2 | ICSD | 87361 | R-3m (166) | ✔ | 14 | 46 | 1 | 0.0 | 0.011 | 0.428 | (0;000) | ✗ | 27/01/17 |
KNO2 | ICSD | 26764 | Cm (8) | ✗ | 4 | 26 | 1 | 2.3753 | 2.619 | 0.000 | (0;000) | ✗ | 06/10/16 |
KHF2 | COD | 1009029 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 7.1061 | 7.160 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca2InN | COD | 1531106 | Cmcm (63) | ✔ | 8 | 76 | 1 | 0.0 | 0.119 | 0.326 | (0;110) | ✗ | 27/01/17 |
NaHF2 | COD | 1010284 | R-3m (166) | ✔ | 4 | 24 | 1 | 6.6482 | 6.928 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbHF2 | ICSD | 45859 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 6.8504 | 6.883 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca2ZnN2 | COD | 1005002 | I4/mmm (139) | ✔ | 5 | 42 | 1 | 0.7565 | 0.981 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca2PbO4 | COD | 2002530 | Pbam (55) | ✔ | 14 | 116 | 1 | 1.7129 | 1.926 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca2SiO4 | ICSD | 182052 | P-3m1 (164) | ✔ | 14 | 96 | 1 | 0.9223 | 0.925 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca2SnO4 | COD | 1529022 | Pbam (55) | ✔ | 14 | 116 | 1 | 3.0356 | 3.056 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca2Pt3O8 | ICSD | 65412 | R-3m (166) | ✔ | 13 | 98 | 1 | 1.149 | 1.308 | 0.000 | (0;000) | ✗ | 27/01/17 |
P2O7F2 | COD | 2300034 | P-1 (2) | ✔ | 11 | 66 | 1 | 0.0 | 0.005 | 0.667 | (1;000) | ✗ | 27/01/17 |
Ca3PCl3 | COD | 1530047 | Pm-3m (221) | ✔ | 7 | 56 | 1 | 1.8056 | 1.806 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sn2OF2 | COD | 2106752 | C2/m (12) | ✔ | 10 | 96 | 1 | 2.5696 | 2.686 | 0.000 | (0;000) | ✗ | 27/01/17 |