▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Li2MnO3 | COD | 1514066 | C2/m (12) | ✔ | 12 | 78 | 2 | 0.053 | 0.078 | 0.000 | (0;000) | ✗ | 27/01/17 |
As2Ir | ICSD | 42573 | P2_1/c (14) | ✔ | 12 | 76 | 3 | 0.9232 | 1.038 | 0.000 | (0;000) | ✗ | 06/10/16 |
MgWO4 | ICSD | 36310 | P2/c (13) | ✔ | 12 | 96 | 3 | 0.0 | 0.001 | 1.000 | (1;010) | ✗ | 27/01/17 |
ZrSiO4 | COD | 9002561 | I4_1/amd (141) | ✔ | 12 | 64 | 3 | 4.4361 | 4.633 | 0.000 | (0;000) | ✗ | 27/01/17 |
YTaO4 | COD | 1530908 | P2/c (13) | ✔ | 12 | 96 | 3 | 2.4657 | 2.660 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScSiPd | ICSD | 648814 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.001 | 0.840 | (0;011) | ✗ | 27/01/17 |
Li2PbO3 | ICSD | 35182 | C2/c (15) | ✔ | 12 | 76 | 3 | 1.2573 | 1.362 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs3BAs2 | ICSD | 300122 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.6808 | 1.772 | 0.000 | (0;000) | ✗ | 30/01/17 |
CrPS4 | ICSD | 937 | C2 (5) | ✗ | 12 | 86 | 2 | 0.0 | 0.006 | 0.359 | (0;100) | ✔ | 05/12/16 |
ScVO4 | COD | 4501809 | I4_1/amd (141) | ✔ | 12 | 96 | 3 | 2.6191 | 2.619 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsNO2 | ICSD | 50327 | P3_121 (152) | ✗ | 12 | 78 | 1 | 2.4684 | 2.661 | 0.000 | (0;000) | ✗ | 28/10/16 |
HfCoGe | ICSD | 623439 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.000 | 0.615 | (1;011) | ✗ | 27/01/17 |
CsNO2 | ICSD | 50328 | P3_121 (152) | ✗ | 12 | 78 | 1 | 2.8488 | 3.021 | 0.000 | (0;000) | ✗ | 28/10/16 |
CsYCdSe3 | COD | 4313788 | Cmcm (63) | ✔ | 12 | 100 | 1 | 2.1463 | 2.153 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2ZrO3 | COD | 2300535 | C2/c (15) | ✔ | 12 | 56 | 3 | 3.12 | 3.329 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaCoGe | ICSD | 623611 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.020 | 0.144 | (1;000) | ✗ | 27/01/17 |
HfSiCu | ICSD | 627916 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.320 | (0;011) | ✗ | 27/01/17 |
K3BAs2 | ICSD | 300105 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.3279 | 1.768 | 0.000 | (0;000) | ✗ | 30/01/17 |
ZrFeSi | ICSD | 633674 | Pnma (62) | ✔ | 12 | 64 | 3 | 0.0 | 0.092 | 0.200 | (0;000) | ✗ | 27/01/17 |
As2Ir | COD | 9009907 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.92 | 0.945 | 0.000 | (0;000) | ✗ | 30/01/17 |
YTaO4 | ICSD | 109190 | C2/c (15) | ✔ | 12 | 96 | 3 | 4.321 | 4.479 | 0.000 | (0;000) | ✗ | 27/01/17 |
KCuO | ICSD | 25695 | I4/m (87) | ✔ | 12 | 104 | 2 | 1.3193 | 1.480 | 0.000 | (0;000) | ✗ | 06/10/16 |
Mg2Hg | COD | 1523434 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.076 | 0.497 | (1;000) | ✗ | 02/02/17 |
KCuS | ICSD | 49008 | P2_1cn (33) | ✗ | 12 | 104 | 1 | 1.8268 | 1.849 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaCuO | ICSD | 15099 | I4/m (87) | ✔ | 12 | 104 | 3 | 1.2831 | 1.388 | 0.000 | (0;000) | ✗ | 06/10/16 |
Rb3BAs2 | ICSD | 402082 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.3651 | 1.757 | 0.000 | (0;000) | ✗ | 30/01/17 |
RbCuO | ICSD | 15100 | I4/m (87) | ✔ | 12 | 104 | 2 | 1.3663 | 1.415 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrCdGe | ICSD | 619960 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.024 | 0.078 | (1;000) | ✗ | 02/02/17 |
Li2S | COD | 1526194 | Pnma (62) | ✔ | 12 | 48 | 2 | 3.8559 | 4.113 | 0.000 | (0;000) | ✗ | 27/01/17 |
K3AuSe2 | COD | 8103427 | R-3c (167) | ✔ | 12 | 100 | 1 | 2.0665 | 2.145 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2NaGaAs2 | ICSD | 300129 | Ibam (72) | ✔ | 12 | 100 | 1 | 0.8897 | 0.890 | 0.000 | (0;000) | ✗ | 30/01/17 |
K2NaInAs2 | ICSD | 300137 | Ibam (72) | ✔ | 12 | 100 | 1 | 0.6694 | 0.669 | 0.000 | (0;000) | ✗ | 30/01/17 |
Li3Zn2SbO6 | ICSD | 69189 | C2/m (12) | ✔ | 12 | 74 | 2 | 2.6662 | 2.802 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaFeSi | ICSD | 633568 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.001 | 0.529 | (1;011) | ✗ | 27/01/17 |
HgPt2Se3 | ICSD | 185808 | P-3m1 (164) | ✔ | 12 | 100 | 3 | 0.0 | 0.027 | 0.207 | (0;001) | ✗ | 02/02/17 |
BaF2 | ICSD | 41650 | Pnma (62) | ✔ | 12 | 96 | 1 | 7.3138 | 7.314 | 0.000 | (0;000) | ✗ | 05/01/17 |
HfAs2 | ICSD | 610636 | Pnma (62) | ✔ | 12 | 88 | 3 | 0.0 | 0.011 | 0.111 | (1;000) | ✗ | 30/01/17 |
Sr2LiCoN2 | ICSD | 72387 | P4_2/mnm (136) | ✔ | 12 | 100 | 1 | 0.0 | 0.008 | 0.377 | (1;000) | ✗ | 02/02/17 |
HPb2IO2 | ICSD | 192170 | C2/m (12) | ✔ | 12 | 96 | 3 | 1.0933 | 1.093 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiAs2 | ICSD | 24801 | Pa3 (205) | ✔ | 12 | 56 | 3 | 0.0 | 0.371 | 0.357 | (0;000) | ✗ | 30/01/17 |
Cu2GeS3 | ICSD | 85138 | Cc (9) | ✗ | 12 | 88 | 3 | 0.3087 | 0.312 | 0.000 | (0;000) | ✔ | 05/12/16 |
Cu2GeSe3 | ICSD | 192171 | Cc (9) | ✗ | 12 | 88 | 3 | 0.0 | 0.089 | 0.019 | (0;000) | ✔ | 06/10/16 |
PF5 | ICSD | 62554 | P6_3/mmc (194) | ✔ | 12 | 80 | 1 | 7.6983 | 7.698 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li5ReO6 | ICSD | 74982 | C2/m (12) | ✔ | 12 | 66 | 1 | 2.3121 | 2.393 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiCu2S3 | ICSD | 24132 | Cm (8) | ✗ | 12 | 88 | 3 | 0.0 | 0.014 | 0.457 | ? | ✗ | 06/10/16 |
SrCuF4 | ICSD | 9927 | I4/mcm (140) | ✔ | 12 | 98 | 1 | 0.0 | 0.001 | 0.584 | (0;000) | ✗ | 27/01/17 |
SiCu2S3 | ICSD | 70057 | Cmc2_1 (36) | ✗ | 12 | 88 | 3 | 1.3178 | 1.369 | 0.000 | (0;000) | ✗ | 06/10/16 |
CdS2 | ICSD | 620305 | Pa3 (205) | ✔ | 12 | 96 | 3 | 0.6904 | 0.690 | 0.000 | (0;000) | ✗ | 02/02/17 |
As2Pd | COD | 9012346 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.0 | 0.226 | 0.153 | (0;000) | ✗ | 30/01/17 |
YVO4 | COD | 9009764 | I4_1/amd (141) | ✔ | 12 | 96 | 3 | 2.9575 | 2.958 | 0.000 | (0;000) | ✗ | 27/01/17 |