▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NaGaH8(NF3)2 | ICSD | 418737 | Fm-3m (225) | ✔ | 18 | 82 | 1 | 6.2519 | 6.252 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbBr | ICSD | 61560 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 4.1418 | 4.159 | 0.000 | (0;000) | ✗ | 27/01/17 |
TlAgI2 | COD | 1509391 | I4/mcm (140) | ✔ | 8 | 76 | 1 | 1.1422 | 1.142 | 0.000 | (0;000) | ✗ | 30/01/17 |
KCuS | ICSD | 49008 | P2_1cn (33) | ✗ | 12 | 104 | 1 | 1.8268 | 1.849 | 0.000 | (0;000) | ✗ | 06/10/16 |
Br | COD | 1512496 | Cmce (64) | ✔ | 4 | 28 | 1 | 1.1847 | 1.185 | 0.000 | (0;000) | ✗ | 27/01/17 |
Br | COD | 9013118 | Cmce (64) | ✔ | 4 | 28 | 1 | 1.7043 | 1.768 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2TaAgS4 | ICSD | 84294 | Fddd (70) | ✔ | 16 | 132 | 1 | 2.5212 | 2.523 | 0.000 | (0;000) | ✗ | 30/01/17 |
K5Ag(NO)2 | ICSD | 73296 | Pbam (55) | ✔ | 20 | 156 | 1 | 0.0 | 0.001 | 0.373 | (0;000) | ✗ | 30/01/17 |
RbBr | COD | 9008706 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 4.2029 | 4.203 | 0.000 | (0;000) | ✗ | 27/01/17 |
TlBr | COD | 9008825 | Pm-3m (221) | ✔ | 2 | 20 | 1 | 1.2438 | 1.649 | 0.000 | (0;000) | ✗ | 27/01/17 |
KAgC2 | ICSD | 410874 | P4/mmm (123) | ✔ | 4 | 28 | 1 | 2.3634 | 2.681 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsAuC2 | ICSD | 411251 | P4/mmm (123) | ✔ | 4 | 28 | 1 | 1.6056 | 1.606 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaTl2RhF6 | ICSD | 27340 | Fm-3m (225) | ✔ | 10 | 94 | 1 | 1.6166 | 1.617 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbAuC2 | ICSD | 411252 | P4/mmm (123) | ✔ | 4 | 28 | 1 | 1.7472 | 1.828 | 0.000 | (0;000) | ✗ | 27/01/17 |
KTlO | COD | 1528008 | C2/m (12) | ✔ | 6 | 56 | 1 | 1.2719 | 1.734 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaC2 | ICSD | 186576 | R-3m (166) | ✔ | 3 | 18 | 1 | 1.1314 | 1.919 | 0.000 | (0;000) | ✗ | 27/01/17 |
As2Se3 | ICSD | 611373 | C2/m (12) | ✔ | 10 | 56 | 1 | 0.5143 | 0.533 | 0.000 | (0;000) | ✗ | 30/01/17 |
CaC2 | COD | 1010500 | Pn-3m (224) | ✔ | 12 | 72 | 1 | 1.7564 | 2.259 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs(CO)2 | ICSD | 154357 | C2/m (12) | ✔ | 10 | 58 | 1 | 2.7093 | 2.798 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbCuC2 | ICSD | 391118 | P4/mmm (123) | ✔ | 4 | 28 | 1 | 1.9709 | 2.051 | 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 |
H4C2NO2 | ICSD | 172054 | C2/m (12) | ✔ | 18 | 58 | 1 | 2.951 | 2.996 | 0.000 | (0;000) | ✗ | 27/01/17 |
H(CO)2 | ICSD | 151146 | P2_1/m (11) | ✔ | 20 | 84 | 1 | 2.7476 | 2.853 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca3PN | COD | 1527232 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 0.8179 | 0.818 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaC2 | ICSD | 88102 | C2/c (15) | ✔ | 6 | 36 | 1 | 1.9008 | 2.015 | 0.000 | (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 |
HBr | ICSD | 28842 | Fmmm (69) | ✔ | 2 | 8 | 1 | 0.0 | 0.014 | 0.282 | (0;000) | ✗ | 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 |
NaCu3Te2 | ICSD | 60860 | R3m (160) | ✗ | 6 | 54 | 1 | 0.0 | 0.052 | 0.021 | (0;111) | ✔ | 06/10/16 |
HCl | ICSD | 28844 | Fmmm (69) | ✔ | 2 | 8 | 1 | 0.0 | 0.033 | 0.154 | (1;000) | ✗ | 06/10/16 |
SrC2 | COD | 1522125 | I4/mmm (139) | ✔ | 3 | 18 | 1 | 1.9456 | 2.680 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrC2 | COD | 1522127 | C2/c (15) | ✔ | 6 | 36 | 1 | 2.457 | 2.716 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaC2 | ICSD | 24074 | C2/c (15) | ✔ | 6 | 36 | 1 | 2.3901 | 2.972 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiCa2HC3 | ICSD | 261184 | P4/mbm (127) | ✔ | 14 | 72 | 1 | 1.2698 | 1.552 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca3N2 | ICSD | 419865 | R-3c (167) | ✔ | 10 | 80 | 1 | 0.792 | 0.955 | 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 |
Ca2NCl | ICSD | 62555 | R-3m (166) | ✔ | 4 | 32 | 1 | 2.3335 | 2.334 | 0.000 | (0;000) | ✗ | 27/01/17 |
C5S3 | COD | 4109719 | Immm (71) | ✔ | 8 | 38 | 1 | 0.0 | 0.005 | 0.705 | (0;111) | ✗ | 27/01/17 |
Ca2CrN3 | COD | 7012864 | P-1 (2) | ✔ | 12 | 98 | 1 | 0.9093 | 1.042 | 0.000 | (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 |
CaC2 | ICSD | 290833 | C2/m (12) | ✔ | 6 | 36 | 1 | 2.378 | 2.794 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca2InN | COD | 1531106 | Cmcm (63) | ✔ | 8 | 76 | 1 | 0.0 | 0.119 | 0.326 | (0;110) | ✗ | 27/01/17 |
Ca2PbO4 | COD | 2002530 | Pbam (55) | ✔ | 14 | 116 | 1 | 1.7129 | 1.926 | 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 |
Tl2O | ICSD | 77699 | C2/m (12) | ✔ | 6 | 64 | 1 | 0.402 | 0.482 | 0.000 | (0;000) | ✔ | 06/10/16 |
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 |
Ca3PCl3 | COD | 1530047 | Pm-3m (221) | ✔ | 7 | 56 | 1 | 1.8056 | 1.806 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca3(PO4)2 | COD | 9005865 | R-3m (166) | ✔ | 13 | 88 | 1 | 5.5912 | 5.591 | 0.000 | (0;000) | ✗ | 27/01/17 |
KAg3Se2 | COD | 8103421 | C2/m (12) | ✔ | 12 | 108 | 1 | 0.0 | 0.023 | 0.017 | (0;000) | ✗ | 30/01/17 |