▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CaIn2Cu | COD | 1528108 | Cmcm (63) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.762 | (0;110) | ✗ | 27/01/17 |
CoSO4 | COD | 2310569 | P2_1/m (11) | ✔ | 12 | 94 | 1 | 0.0 | 0.001 | 0.773 | (1;010) | ✗ | 02/02/17 |
YIn2Ni | ICSD | 413459 | Cmcm (63) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.860 | (0;000) | ✗ | 27/01/17 |
CsCoCl3 | ICSD | 27511 | P6_3/mmc (194) | ✔ | 10 | 94 | 1 | 0.0 | 0.000 | 0.591 | (0;000) | ✗ | 02/02/17 |
BaMnBiF | ICSD | 426033 | P4/nmm (129) | ✔ | 8 | 94 | 1 | 0.0 | 0.000 | 0.869 | (0;000) | ✗ | 02/02/17 |
TlFe2S3 | COD | 9013499 | Cmcm (63) | ✔ | 12 | 94 | 1 | 0.0 | 0.000 | 0.351 | (0;000) | ✗ | 02/02/17 |
RbCoCl3 | ICSD | 24305 | P6_3/mmc (194) | ✔ | 10 | 94 | 1 | 0.0 | 0.000 | 0.491 | (0;000) | ✗ | 02/02/17 |
Sc6Te2Os | ICSD | 98972 | P-62m (189) | ✗ | 9 | 94 | 3 | 0.0 | 0.000 | 0.519 | ? | ✗ | 06/10/16 |
Tl(ZnSb)2 | ICSD | 76499 | I4 (79) | ✗ | 10 | 94 | 3 | 0.0 | 0.005 | 0.747 | ? | ✗ | 06/10/16 |
Li(C3N2)2 | COD | 4121261 | P2/c (13) | ✔ | 22 | 94 | 1 | 0.0 | 0.000 | 0.530 | (0;100) | ✗ | 04/08/17 |
Ag8S | COD | 2105382 | Imm2 (44) | ✗ | 9 | 94 | 3 | 0.0 | 0.003 | 0.259 | (1;100) | ✔ | 26/04/17 |
KPt2S3 | ICSD | 40062 | R-3m (166) | ✔ | 12 | 94 | 2 | 1.3757 | 1.377 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zr5ZnSb3 | ICSD | 651774 | P6_3/mcm (193) | ✔ | 18 | 94 | 3 | 0.0 | 0.000 | 0.671 | (1;000) | ✗ | 02/02/17 |
Na6ZnSn2 | COD | 4101591 | C2/m (12) | ✔ | 9 | 94 | 1 | 0.0 | 0.072 | 0.126 | (0;000) | ✗ | 02/02/17 |
KYH4C4O9 | ICSD | 109947 | P1 (1) | ✗ | 19 | 94 | 3 | 0.0 | 0.025 | 0.247 | (0;000) | ✔ | 21/03/17 |
NaH2(SO2)2 | ICSD | 40833 | C2 (5) | ✗ | 18 | 94 | 1 | 3.5971 | 3.598 | 0.000 | (0;000) | ✗ | 28/03/17 |
Nb3Si2 | ICSD | 645431 | P4/mbm (127) | ✔ | 10 | 94 | 1 | 0.0 | 0.000 | 0.731 | (1;000) | ✗ | 02/02/17 |
Zr2Ga3 | COD | 1522711 | Fdd2 (43) | ✗ | 10 | 94 | 3 | 0.0 | 0.000 | 0.885 | ? | ✗ | 15/02/17 |
RbPt2Se3 | ICSD | 69439 | R-3m (166) | ✔ | 12 | 94 | 2 | 0.8141 | 0.814 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaAl9Ni | ICSD | 63626 | P6_3/mmc (194) | ✔ | 22 | 94 | 3 | 0.0 | 0.000 | 0.990 | (1;000) | ✗ | 04/08/17 |
KPt2Se3 | ICSD | 69438 | R-3m (166) | ✔ | 12 | 94 | 2 | 0.768 | 0.768 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnS2 | ICSD | 651447 | Pa3 (205) | ✔ | 12 | 96 | 3 | 1.2446 | 1.288 | 0.000 | (0;000) | ✗ | 02/02/17 |
HC2F | COD | 4116822 | C2/c (15) | ✔ | 24 | 96 | 1 | 4.5863 | 4.606 | 0.000 | (0;000) | ✗ | 04/08/17 |
CaBi2(CO4)2 | COD | 9004678 | Immm (71) | ✔ | 13 | 96 | 1 | 0.0 | 0.009 | 0.446 | (0;111) | ✗ | 21/03/17 |
TcH4NO4 | ICSD | 10429 | I4_1/a (88) | ✔ | 20 | 96 | 1 | 0.0 | 0.735 | 1.000 | (1;111) | ✗ | 29/03/17 |
SrSiPt | ICSD | 604437 | P2_13 (198) | ✗ | 12 | 96 | 3 | 0.0 | 0.000 | 0.544 | ? | ✗ | 29/03/17 |
AlPO4 | ICSD | 66997 | P6_422 (181) | ✗ | 18 | 96 | 1 | 0.0 | 0.001 | 0.845 | ? | ✗ | 16/03/17 |
KNaSO4 | ICSD | 77343 | P-3m1 (164) | ✔ | 14 | 96 | 1 | 4.5117 | 4.575 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiO2 | COD | 4124083 | P-31m (162) | ✔ | 18 | 96 | 3 | 0.0 | 0.038 | 0.417 | (0;000) | ✗ | 02/02/17 |
CaCO3 | ICSD | 83607 | C2 (5) | ✗ | 15 | 96 | 1 | 4.5726 | 4.806 | 0.000 | (0;000) | ✗ | 15/02/17 |
MgGeN2 | ICSD | 636948 | Pna2_1 (33) | ✗ | 16 | 96 | 3 | 2.9643 | 3.177 | 0.000 | (0;000) | ✗ | 15/02/17 |
Sr7(H6Br)2 | ICSD | 418949 | P-6 (174) | ✗ | 21 | 96 | 1 | 3.7126 | 3.878 | 0.000 | (0;000) | ✗ | 04/08/17 |
ZrTl2S3 | COD | 7019865 | P2_1/m (11) | ✔ | 12 | 96 | 3 | 0.6608 | 0.670 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3Na(SO4)2 | COD | 1011019 | P-3m1 (164) | ✔ | 14 | 96 | 1 | 0.0 | 0.003 | 0.251 | (0;000) | ✗ | 02/02/17 |
AlAsO4 | COD | 9008404 | P3_121 (152) | ✗ | 18 | 96 | 3 | 4.6284 | 4.678 | 0.000 | (0;000) | ✗ | 16/03/17 |
Zr7P4 | ICSD | 648313 | C2/m (12) | ✔ | 22 | 96 | 3 | 0.0 | 0.013 | 0.845 | (0;001) | ✗ | 07/08/17 |
Sr2Si | COD | 1520913 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.3629 | 0.363 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaTl3(SO3)2 | ICSD | 1626 | P-3m1 (164) | ✔ | 12 | 96 | 1 | 3.0547 | 3.215 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiO2 | ICSD | 419757 | R-3 (148) | ✔ | 18 | 96 | 3 | 5.7691 | 5.908 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbI5 | COD | 7221145 | P-1 (2) | ✔ | 12 | 96 | 1 | 0.0 | 0.048 | 0.113 | (0;111) | ✗ | 02/02/17 |
KNaSO4 | COD | 9007638 | P3m1 (156) | ✗ | 14 | 96 | 1 | 5.0638 | 5.136 | 0.000 | (0;000) | ✗ | 15/02/17 |
Rb2Pd3S4 | ICSD | 41886 | C2/m (12) | ✔ | 9 | 96 | 1 | 1.1446 | 1.318 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr3Ti2O7 | COD | 1530317 | I4/mmm (139) | ✔ | 12 | 96 | 2 | 2.0934 | 2.339 | 0.000 | (0;000) | ✗ | 29/03/17 |
BaSiPt | ICSD | 604438 | P2_13 (198) | ✗ | 12 | 96 | 3 | 0.0 | 0.000 | 0.537 | ? | ✗ | 21/03/17 |
TiO2 | ICSD | 657748 | P2_1/m (11) | ✔ | 12 | 96 | 2 | 0.0 | 0.014 | 0.473 | (0;000) | ✗ | 02/02/17 |
NaAlO2 | ICSD | 79404 | Pna2_1 (33) | ✗ | 16 | 96 | 3 | 3.9693 | 4.020 | 0.000 | (0;000) | ✗ | 15/02/17 |
FeCo2(CN)6 | COD | 1010375 | F-43m (216) | ✗ | 15 | 96 | 3 | 0.0 | 0.000 | 0.765 | ? | ✗ | 21/03/17 |
KH3O2 | ICSD | 47114 | P2_1/c (14) | ✔ | 24 | 96 | 1 | 4.2058 | 4.232 | 0.000 | (0;000) | ✗ | 04/08/17 |
K3Ni2F7 | ICSD | 33523 | I4/mmm (139) | ✔ | 12 | 96 | 2 | 0.0 | 0.005 | 0.763 | (0;000) | ✗ | 22/03/17 |
Mg3Si2H4O9 | COD | 9001639 | P31m (157) | ✗ | 18 | 96 | 2 | 4.6081 | 4.611 | 0.000 | (0;000) | ✗ | 15/02/17 |