▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
MgCl2 | COD | 8103685 | P-3m1 (164) | ✔ | 3 | 24 | 2 | 5.5256 | 5.526 | 0.000 | (0;000) | ✗ | 27/01/17 |
CrF4 | ICSD | 78778 | P4_2/mnm (136) | ✔ | 20 | 168 | 2 | 0.0 | 0.023 | 0.922 | (0;000) | ✗ | 02/02/17 |
Na3CrF6 | ICSD | 27070 | P2_1/c (14) | ✔ | 20 | 166 | 1 | 0.0 | 0.000 | 0.617 | (0;000) | ✗ | 02/02/17 |
Cr(GaS2)2 | ICSD | 626045 | Fd-3m (227) | ✔ | 14 | 128 | 3 | 0.0 | 0.000 | 0.849 | (0;000) | ✗ | 02/02/17 |
K2S | ICSD | 412535 | Cmcm (63) | ✔ | 6 | 48 | 1 | 2.7895 | 2.790 | 0.000 | (0;000) | ✗ | 27/01/17 |
Fe(Si2O3)2 | ICSD | 34181 | P1 (1) | ✗ | 11 | 60 | 1 | 0.0 | 0.022 | 0.092 | (0;000) | ✔ | 06/10/16 |
RbC | ICSD | 51532 | Pnma (62) | ✔ | 16 | 104 | 1 | 3.5711 | 3.623 | 0.000 | (0;000) | ✗ | 02/02/17 |
CrBO3 | COD | 2310093 | R-3c (167) | ✔ | 10 | 70 | 3 | 0.0 | 0.000 | 0.476 | (0;000) | ✗ | 05/01/17 |
Fe(SiP)4 | ICSD | 79005 | P1 (1) | ✗ | 9 | 44 | 3 | 1.0026 | 1.287 | 0.000 | (0;000) | ✗ | 06/10/16 |
CrHg(PbO3)2 | COD | 2012488 | P-1 (2) | ✔ | 20 | 180 | 3 | 2.1127 | 2.113 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cr(InS2)2 | ICSD | 626203 | Fd-3m (227) | ✔ | 14 | 128 | 3 | 0.0 | 0.000 | 0.698 | (0;000) | ✗ | 02/02/17 |
C3N4 | ICSD | 248430 | P-6 (174) | ✗ | 7 | 32 | 1 | 0.0 | 0.001 | 0.871 | (0;000) | ✔ | 06/10/16 |
PI2 | ICSD | 203216 | P-1 (2) | ✔ | 6 | 38 | 1 | 1.5597 | 1.560 | 0.000 | (0;000) | ✗ | 06/10/16 |
SiO2 | ICSD | 170510 | I4_122 (98) | ✗ | 12 | 64 | 3 | 5.05 | 5.050 | 0.000 | (0;000) | ✗ | 06/10/16 |
TiBe12 | ICSD | 58745 | P6/mmm (191) | ✔ | 13 | 60 | 1 | 0.0 | 0.000 | 0.624 | (0;000) | ✗ | 05/01/17 |
NiCl2 | COD | 9009132 | R-3m (166) | ✔ | 3 | 24 | 2 | 0.0 | 0.010 | 0.603 | (0;000) | ✗ | 27/01/17 |
Sr3CrN3 | ICSD | 154803 | P6_3/m (176) | ✔ | 14 | 118 | 1 | 0.0 | 0.000 | 0.364 | (0;000) | ✗ | 02/02/17 |
MgCl2 | COD | 9009129 | R-3m (166) | ✔ | 3 | 24 | 2 | 5.3598 | 5.360 | 0.000 | (0;000) | ✗ | 27/01/17 |
Nb4CrSi3 | ICSD | 601734 | I4/mcm (140) | ✔ | 16 | 156 | 3 | 0.0 | 0.003 | 0.726 | (0;000) | ✗ | 02/02/17 |
SiO2 | ICSD | 170513 | R3 (146) | ✗ | 9 | 48 | 0 | 5.7129 | 5.713 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ni(ClO4)2 | ICSD | 33289 | R-3 (148) | ✔ | 11 | 72 | 2 | 0.0 | 0.018 | 0.403 | (0;000) | ✗ | 27/01/17 |
SrCl2 | COD | 1010899 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 5.2948 | 5.509 | 0.000 | (0;000) | ✗ | 27/01/17 |
CrPb2O5 | COD | 8103050 | C2/m (12) | ✔ | 16 | 144 | 3 | 1.8045 | 2.012 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ta2CrO6 | COD | 1001053 | Pmna (53) | ✔ | 18 | 152 | 2 | 0.0 | 0.010 | 0.756 | (0;000) | ✗ | 02/02/17 |
YCrTeO6 | ICSD | 164948 | P-31c (163) | ✔ | 18 | 134 | 3 | 0.0 | 0.000 | 0.550 | (0;000) | ✗ | 02/02/17 |
C3N4 | ICSD | 83264 | P-43m (215) | ✗ | 7 | 32 | 3 | 2.5786 | 2.579 | 0.000 | (0;000) | ✗ | 06/10/16 |
InS | ICSD | 15931 | Pnnm (58) | ✔ | 8 | 76 | 3 | 0.6548 | 1.429 | 0.000 | (0;000) | ✗ | 27/01/17 |
Fe2P2O7 | ICSD | 17062 | P1 (1) | ✗ | 11 | 68 | 3 | 0.178 | 0.178 | 0.000 | (0;000) | ✔ | 06/10/16 |
CsS3 | ICSD | 24678 | P-1 (2) | ✔ | 16 | 108 | 1 | 1.511 | 1.621 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca(BeN)2 | ICSD | 413357 | I4/mcm (140) | ✔ | 10 | 56 | 1 | 2.5333 | 2.668 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ca(BeP)2 | ICSD | 616191 | P-3m1 (164) | ✔ | 5 | 28 | 1 | 0.8415 | 1.509 | 0.000 | (0;000) | ✗ | 05/01/17 |
Be2Cu | ICSD | 616247 | Fd-3m (227) | ✔ | 6 | 38 | 3 | 0.0 | 0.000 | 0.436 | (0;000) | ✗ | 05/01/17 |
CS14 | ICSD | 26464 | R-3m (166) | ✔ | 15 | 88 | 2 | 2.3303 | 2.487 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2Ti(CuSe2)2 | COD | 4319683 | P4_2/mcm (132) | ✔ | 18 | 152 | 2 | 1.328 | 1.629 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2TeOF4 | ICSD | 411626 | Cmcm (63) | ✔ | 16 | 116 | 1 | 5.2321 | 5.241 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2NaGaF6 | ICSD | 55003 | R-3m (166) | ✔ | 20 | 164 | 1 | 6.4731 | 6.496 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2KYF6 | ICSD | 155977 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 6.8517 | 6.852 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2RbYF6 | ICSD | 25366 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 6.5182 | 6.528 | 0.000 | (0;000) | ✗ | 02/02/17 |
InSb | ICSD | 156995 | Cmcm (63) | ✔ | 4 | 36 | 3 | 0.0 | 0.022 | 0.498 | (0;000) | ✗ | 06/10/16 |
Cs2K4Fe2O5 | ICSD | 65942 | C2/m (12) | ✔ | 13 | 100 | 1 | 0.0 | 0.012 | 0.098 | (0;000) | ✗ | 02/02/17 |
Cs2Li3GaO4 | ICSD | 69491 | Ibam (72) | ✔ | 20 | 128 | 2 | 4.0292 | 4.029 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2Li2GeO4 | ICSD | 36532 | P-1 (2) | ✔ | 18 | 104 | 2 | 3.9221 | 4.022 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2GeS4 | COD | 2202360 | C2/m (12) | ✔ | 14 | 92 | 1 | 2.4232 | 2.451 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2GeSe3 | ICSD | 415215 | C2/m (12) | ✔ | 12 | 80 | 1 | 1.7854 | 1.887 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2GeSe4 | ICSD | 74832 | C2/m (12) | ✔ | 14 | 92 | 1 | 1.7325 | 1.812 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2HfI6 | COD | 1530776 | Fm-3m (225) | ✔ | 9 | 72 | 1 | 1.9255 | 1.926 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2Sn2Hg3S8 | ICSD | 85598 | P-1 (2) | ✔ | 15 | 130 | 1 | 1.743 | 1.786 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2Li3I5 | ICSD | 35655 | C2/m (12) | ✔ | 10 | 62 | 1 | 3.703 | 3.703 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2PdI6 | COD | 4300058 | I4/mmm (139) | ✔ | 9 | 78 | 1 | 0.5279 | 0.834 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2PdI6 | COD | 4300059 | Fm-3m (225) | ✔ | 9 | 78 | 1 | 0.0 | 0.229 | 0.052 | (0;000) | ✗ | 02/02/17 |