▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Rb2Mo(SO)2 | ICSD | 423992 | C2/c (15) | ✔ | 14 | 112 | 1 | 2.2015 | 2.383 | 0.000 | (0;000) | ✗ | 02/02/17 |
Be(BC)2 | ICSD | 418618 | Pmmn (59) | ✔ | 20 | 72 | 1 | 0.0 | 0.566 | 0.014 | (0;000) | ✗ | 27/01/17 |
Rb2MoO4 | ICSD | 24904 | C2/m (12) | ✔ | 14 | 112 | 1 | 3.6232 | 3.714 | 0.000 | (0;000) | ✗ | 02/02/17 |
PbS | ICSD | 68712 | C2 (5) | ✗ | 4 | 40 | 2 | 1.0591 | 1.094 | 0.000 | (0;000) | ✗ | 06/10/16 |
PbO | ICSD | 15402 | Pmab (57) | ✔ | 8 | 80 | 2 | 1.8544 | 2.040 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiIO3 | ICSD | 46027 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.8029 | 3.878 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZrSiMo | ICSD | 644448 | Pnma (62) | ✔ | 12 | 88 | 3 | 0.0 | 0.011 | 0.382 | (0;000) | ✗ | 02/02/17 |
Ca(BC)2 | ICSD | 88019 | I4/mcm (140) | ✔ | 10 | 48 | 2 | 0.4846 | 1.005 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mg(BC)2 | ICSD | 421839 | Pnnm (58) | ✔ | 10 | 48 | 3 | 1.1081 | 1.531 | 0.000 | (0;000) | ✗ | 27/01/17 |
SeS2(NO)2 | ICSD | 69978 | C2/c (15) | ✔ | 14 | 80 | 1 | 1.8532 | 1.897 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiIO3 | ICSD | 80025 | P6_3 (173) | ✗ | 10 | 56 | 1 | 3.6161 | 3.692 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sc(BC)2 | ICSD | 23834 | Pbam (55) | ✔ | 20 | 100 | 3 | 0.0 | 0.010 | 0.583 | (1;000) | ✗ | 27/01/17 |
Pd(NO3)2 | ICSD | 425998 | P2_1/c (14) | ✔ | 18 | 128 | 2 | 1.5489 | 1.549 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y(BC)2 | ICSD | 427155 | P4/mbm (127) | ✔ | 10 | 50 | 3 | 0.0 | 0.000 | 0.546 | (0;000) | ✗ | 27/01/17 |
PbO | ICSD | 62846 | P4/nmm (129) | ✔ | 4 | 40 | 2 | 1.1693 | 2.163 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiIO3 | ICSD | 80026 | P6_3 (173) | ✗ | 10 | 56 | 1 | 3.9069 | 3.948 | 0.000 | (0;000) | ✗ | 06/10/16 |
Y(BC)2 | ICSD | 612672 | P4_2/mmc (131) | ✔ | 10 | 50 | 3 | 0.0 | 0.000 | 0.731 | (0;101) | ✗ | 27/01/17 |
BaC2 | ICSD | 186576 | R-3m (166) | ✔ | 3 | 18 | 1 | 1.1314 | 1.919 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiIO3 | ICSD | 9508 | P6_3 (173) | ✗ | 10 | 56 | 1 | 3.8139 | 3.877 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaC2 | ICSD | 54185 | C2/m (12) | ✔ | 6 | 36 | 1 | 1.2582 | 1.961 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrN6 | ICSD | 35226 | Fddd (70) | ✔ | 14 | 80 | 1 | 3.6409 | 3.751 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbN9 | ICSD | 413359 | R-3 (148) | ✔ | 20 | 100 | 1 | 2.7027 | 2.734 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrI4 | ICSD | 62243 | P-1 (2) | ✔ | 20 | 128 | 1 | 1.0239 | 1.068 | 0.000 | (0;000) | ✗ | 02/02/17 |
BN | ICSD | 162877 | Cm (8) | ✗ | 8 | 32 | 3 | 1.5525 | 1.567 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na2ZnO2 | ICSD | 404761 | P2_1/c (14) | ✔ | 20 | 168 | 2 | 1.5299 | 1.530 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdTe | ICSD | 150941 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.5613 | 0.561 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na2SnTeO6 | ICSD | 89017 | P2_1/c (14) | ✔ | 20 | 148 | 3 | 1.5615 | 1.562 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2PS3 | ICSD | 426907 | C2/m (12) | ✔ | 12 | 82 | 1 | 2.7557 | 3.066 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2ZnS2 | ICSD | 33235 | Ibam (72) | ✔ | 10 | 84 | 1 | 2.4022 | 2.402 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2ZrSe3 | ICSD | 412158 | C2/m (12) | ✔ | 12 | 80 | 2 | 1.0681 | 1.371 | 0.000 | (0;000) | ✗ | 02/02/17 |
PbSe | ICSD | 74334 | F2mm (42) | ✗ | 4 | 40 | 2 | 0.9339 | 0.934 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ta4O | ICSD | 76022 | Pmmm (47) | ✔ | 5 | 58 | 3 | 0.0 | 0.040 | 0.441 | (0;111) | ✗ | 27/01/17 |
RbIO3 | ICSD | 2825 | R3m (160) | ✗ | 5 | 34 | 1 | 2.7038 | 2.708 | 0.000 | (0;000) | ✗ | 06/10/16 |
Hg | ICSD | 15902 | P2_1/c (14) | ✔ | 6 | 72 | 3 | 1.6952 | 1.722 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na4PbO4 | ICSD | 74859 | P-1 (2) | ✔ | 18 | 148 | 1 | 1.5361 | 1.536 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlIO3 | ICSD | 62106 | R3m (160) | ✗ | 5 | 38 | 1 | 2.5705 | 2.612 | 0.000 | (0;000) | ✗ | 06/10/16 |
PtO2 | ICSD | 202407 | Pmnn (58) | ✔ | 6 | 44 | 3 | 0.4791 | 0.746 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na4TiO4 | ICSD | 69621 | P-1 (2) | ✔ | 18 | 144 | 1 | 3.3873 | 3.439 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlIO3 | ICSD | 76967 | Pm-3m (221) | ✔ | 5 | 38 | 3 | 0.0 | 0.292 | 0.119 | (1;111) | ✗ | 30/01/17 |
Na6S2O9 | ICSD | 411442 | Fm-3m (225) | ✔ | 17 | 120 | 1 | 3.2299 | 3.253 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbSI | ICSD | 26924 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.4207 | 1.565 | 0.000 | (0;000) | ✗ | 06/10/16 |
ScCoC2 | ICSD | 62598 | P4/nmm (129) | ✔ | 8 | 72 | 3 | 0.0 | 0.019 | 0.394 | (1;001) | ✗ | 27/01/17 |
NaYO2 | ICSD | 2740 | C2/c (15) | ✔ | 16 | 128 | 3 | 4.2228 | 4.223 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cr3C2 | ICSD | 57009 | Cmcm (63) | ✔ | 10 | 100 | 3 | 0.0 | 0.007 | 0.781 | (0;000) | ✗ | 27/01/17 |
TiPd | ICSD | 167649 | P2_1/m (11) | ✔ | 4 | 44 | 3 | 0.0 | 0.000 | 0.849 | (0;000) | ✔ | 06/10/16 |
RuO2 | ICSD | 290495 | Pmnn (58) | ✔ | 6 | 56 | 3 | 0.0 | 0.041 | 0.284 | (0;000) | ✗ | 06/10/16 |
NaVO3 | ICSD | 20556 | C2/c (15) | ✔ | 20 | 160 | 1 | 3.2206 | 3.248 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbSI | ICSD | 28263 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.4604 | 1.638 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaTl3(SO3)2 | ICSD | 1626 | P-3m1 (164) | ✔ | 12 | 96 | 1 | 3.0547 | 3.215 | 0.000 | (0;000) | ✗ | 02/02/17 |
ScCrC2 | ICSD | 80373 | P6_3/mmc (194) | ✔ | 8 | 66 | 3 | 0.0 | 0.000 | 0.951 | (1;000) | ✗ | 27/01/17 |