▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
S(IN)2 | ICSD | 72363 | P-1 (2) | ✔ | 20 | 120 | 2 | 1.0885 | 1.190 | 0.000 | (0;000) | ✗ | 02/02/17 |
CBr3F | ICSD | 72370 | Pnma (62) | ✔ | 20 | 128 | 1 | 3.4942 | 3.524 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2TiS3 | ICSD | 72377 | C2/c (15) | ✔ | 12 | 96 | 1 | 1.1523 | 1.152 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2Sn2S5 | ICSD | 72378 | C2/c (15) | ✔ | 18 | 152 | 3 | 1.6448 | 1.893 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2Sn2Se5 | ICSD | 72379 | C2/c (15) | ✔ | 18 | 152 | 3 | 1.1071 | 1.260 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na4SnSe4 | ICSD | 72384 | P-42_1c (114) | ✗ | 18 | 148 | 1 | 1.5747 | 1.575 | 0.000 | (0;000) | ✗ | 29/03/17 |
K(SnSe2)2 | ICSD | 72386 | Cm (8) | ✗ | 14 | 122 | 3 | 1.3797 | 1.505 | 0.000 | (0;000) | ✗ | 29/03/17 |
Sr2LiCoN2 | ICSD | 72387 | P4_2/mnm (136) | ✔ | 12 | 100 | 1 | 0.0 | 0.008 | 0.377 | (1;000) | ✗ | 02/02/17 |
Ca2FeN2 | ICSD | 72389 | C2/m (12) | ✔ | 10 | 76 | 1 | 0.0 | 0.006 | 0.480 | (0;111) | ✗ | 27/01/17 |
SbSCl9 | ICSD | 72391 | C2/m (12) | ✔ | 22 | 148 | 1 | 1.8944 | 1.931 | 0.000 | (0;000) | ✗ | 04/08/17 |
MnCuP | ICSD | 72411 | Pnma (62) | ✔ | 12 | 124 | 3 | 0.0 | 0.000 | 0.293 | (1;011) | ✗ | 27/01/17 |
MnCuAs | ICSD | 72413 | Pnma (62) | ✔ | 12 | 124 | 3 | 0.0 | 0.000 | 0.258 | (1;011) | ✗ | 05/01/17 |
K2TaCuSe4 | ICSD | 72427 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.9765 | 2.063 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaSi2N3 | ICSD | 72466 | Cmc2_1 (36) | ✗ | 12 | 64 | 3 | 4.0847 | 4.085 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cu2WS4 | ICSD | 72529 | P-42m (111) | ✗ | 7 | 74 | 2 | 1.0439 | 1.432 | 0.000 | (0;000) | ✗ | 11/04/17 |
Ca2PN3 | ICSD | 72532 | Cmce (64) | ✔ | 24 | 160 | 1 | 2.5689 | 2.623 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsNbN2 | ICSD | 72546 | Fd-3m (227) | ✔ | 8 | 64 | 3 | 1.8404 | 1.853 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbLiCrO4 | ICSD | 72549 | P31c (159) | ✗ | 14 | 100 | 1 | 0.0 | 0.022 | 0.177 | (0;000) | ✔ | 22/03/17 |
Ru(CO)4 | ICSD | 72577 | Ibam (72) | ✔ | 18 | 112 | 1 | 2.2438 | 2.285 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs(WO3)2 | ICSD | 72634 | Fd-3m (227) | ✔ | 18 | 146 | 3 | 0.0 | 0.000 | 0.581 | (0;000) | ✗ | 02/02/17 |
CaSiPt | ICSD | 72640 | P2_13 (198) | ✗ | 12 | 96 | 3 | 0.0 | 0.000 | 0.533 | (0;000) | ✔ | 05/12/16 |
CaSiPt | ICSD | 72641 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 0.0 | 0.128 | 0.101 | (1;000) | ✗ | 02/02/17 |
CaSiPt | ICSD | 72642 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.046 | 0.529 | (1;000) | ✗ | 02/02/17 |
Ba4Zr3S10 | ICSD | 72656 | I4/mmm (139) | ✔ | 17 | 112 | 2 | 0.1499 | 0.382 | 0.000 | (0;000) | ✗ | 21/03/17 |
KScF4 | ICSD | 72736 | C2/m (12) | ✔ | 24 | 192 | 1 | 6.402 | 6.402 | 0.000 | (0;000) | ✗ | 04/08/17 |
Tl4V2O7 | ICSD | 72810 | P-3m1 (164) | ✔ | 13 | 120 | 2 | 2.3238 | 2.339 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2CaMoO6 | ICSD | 72815 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 2.1254 | 2.199 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2CaMoO6 | ICSD | 72816 | Pmm2 (25) | ✗ | 20 | 160 | 1 | 1.9934 | 1.993 | 0.000 | (0;000) | ✗ | 11/04/17 |
CsReO4 | ICSD | 72817 | I4_1/amd (141) | ✔ | 12 | 96 | 1 | 4.7877 | 4.788 | 0.000 | (0;000) | ✗ | 02/02/17 |
SnPS3 | ICSD | 72835 | P2_1/c (14) | ✔ | 20 | 148 | 3 | 1.6984 | 1.832 | 0.000 | (0;000) | ✗ | 02/02/17 |
KLi6BiO6 | ICSD | 72840 | R-3m (166) | ✔ | 14 | 78 | 1 | 2.0022 | 2.002 | 0.000 | (0;000) | ✗ | 05/01/17 |
Na3PS4 | ICSD | 72860 | P-42_1c (114) | ✗ | 16 | 112 | 1 | 2.3398 | 2.340 | 0.000 | (0;000) | ✗ | 29/03/17 |
CoReO4 | ICSD | 72872 | Cmmm (65) | ✔ | 6 | 56 | 3 | 0.0 | 0.015 | 0.818 | (1;001) | ✗ | 27/01/17 |
Sr4IrO6 | ICSD | 72926 | R-3c (167) | ✔ | 22 | 186 | 1 | 0.0 | 0.000 | 0.278 | (0;000) | ✗ | 07/08/17 |
CsBiS2 | ICSD | 72975 | P2_1/c (14) | ✔ | 16 | 144 | 1 | 1.5688 | 1.689 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2Bi8Se13 | ICSD | 72976 | P-1 (2) | ✔ | 23 | 216 | 3 | 0.3492 | 0.459 | 0.000 | (0;000) | ✗ | 07/08/17 |
CsSnS3 | ICSD | 73008 | P-1 (2) | ✔ | 10 | 82 | 1 | 1.838 | 1.955 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiGeTe6 | ICSD | 73014 | C2/m (12) | ✔ | 16 | 104 | 2 | 0.1456 | 0.234 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2CS3 | ICSD | 73094 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.1499 | 1.499 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na4W(NO)2 | ICSD | 73101 | P-1 (2) | ✔ | 18 | 172 | 1 | 1.9041 | 1.976 | 0.000 | (0;000) | ✗ | 11/04/17 |
Na4Mo(NO)2 | ICSD | 73102 | P-1 (2) | ✔ | 18 | 144 | 1 | 2.0429 | 2.120 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3TaO8 | ICSD | 73104 | I-42m (121) | ✗ | 12 | 88 | 1 | 3.0859 | 3.238 | 0.000 | (0;000) | ✗ | 15/02/17 |
NaNbO2 | ICSD | 73111 | P6_3/mmc (194) | ✔ | 8 | 68 | 2 | 0.3537 | 1.376 | 0.000 | (0;000) | ✗ | 27/01/17 |
MnF3 | ICSD | 73113 | C2/c (15) | ✔ | 24 | 216 | 3 | 0.0 | 0.007 | 0.231 | (1;000) | ✗ | 04/08/17 |
Si3CCl8 | ICSD | 73125 | P-1 (2) | ✔ | 24 | 144 | 3 | 4.5556 | 4.605 | 0.000 | (0;000) | ✗ | 04/08/17 |
LiAlPdF6 | ICSD | 73132 | P-31c (163) | ✔ | 18 | 132 | 3 | 0.0 | 0.002 | 0.052 | (0;000) | ✗ | 05/01/17 |
ZrPdF6 | ICSD | 73133 | R-3 (148) | ✔ | 8 | 64 | 3 | 0.0 | 0.000 | 0.785 | (0;000) | ✗ | 27/01/17 |
Cs6Fe2O5 | ICSD | 73134 | C2/m (12) | ✔ | 13 | 100 | 3 | 0.0 | 0.017 | 0.390 | (0;000) | ✗ | 02/02/17 |
RbCr3S5 | ICSD | 73143 | C2/m (12) | ✔ | 18 | 162 | 3 | 0.0 | 0.001 | 0.672 | (1;000) | ✗ | 22/03/17 |
KLi6TaO6 | ICSD | 73159 | R-3m (166) | ✔ | 14 | 76 | 1 | 4.4879 | 4.670 | 0.000 | (0;000) | ✗ | 27/01/17 |