▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BaZnPF | COD | 7203812 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.416 | 0.416 | 0.000 | (0;000) | ✗ | 05/01/17 |
Mn2Ge | ICSD | 57080 | P6_3/mmc (194) | ✔ | 6 | 68 | 3 | 0.0 | 0.003 | 0.727 | (0;000) | ✗ | 27/01/17 |
BaZnSbF | COD | 7203813 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.0 | 0.028 | 0.046 | (0;000) | ✗ | 05/01/17 |
H6Pd(NO)4 | ICSD | 420291 | P-1 (2) | ✔ | 15 | 68 | 1 | 2.4183 | 2.602 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaNi2Ge | ICSD | 421431 | Pmmn (59) | ✔ | 8 | 68 | 3 | 0.0 | 0.035 | 0.272 | (0;010) | ✗ | 05/01/17 |
BaHg2 | ICSD | 58655 | Imma (74) | ✔ | 6 | 68 | 3 | 0.0 | 0.037 | 0.399 | (0;111) | ✗ | 05/01/17 |
BaMgPb | ICSD | 615958 | P4/nmm (129) | ✔ | 6 | 68 | 2 | 0.0 | 0.050 | 0.433 | (0;000) | ✗ | 05/01/17 |
BaMgSn | ICSD | 615965 | P4/nmm (129) | ✔ | 6 | 68 | 2 | 0.0 | 0.017 | 0.529 | (0;000) | ✗ | 05/01/17 |
Ba(MnSn)2 | ICSD | 58661 | I4/mmm (139) | ✔ | 5 | 68 | 3 | 0.0 | 0.003 | 0.733 | (0;000) | ✗ | 05/01/17 |
CrP4 | ICSD | 2790 | C2/c (15) | ✔ | 10 | 68 | 2 | 0.0 | 0.022 | 0.114 | (1;000) | ✔ | 27/01/17 |
BaSeO3 | ICSD | 54156 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 3.9448 | 3.945 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaTeO3 | COD | 1524714 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 2.8465 | 2.873 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaZnSO | COD | 4310117 | Cmcm (63) | ✔ | 8 | 68 | 2 | 2.2859 | 2.344 | 0.000 | (0;000) | ✗ | 05/01/17 |
CdSnF6 | ICSD | 25017 | R-3 (148) | ✔ | 8 | 68 | 3 | 2.997 | 3.043 | 0.000 | (0;000) | ✗ | 27/01/17 |
Pd3Pb | ICSD | 648357 | Pm-3m (221) | ✔ | 4 | 68 | 3 | 0.0 | 0.000 | 0.144 | (1;000) | ✗ | 27/01/17 |
BaZn2 | ICSD | 58683 | Imma (74) | ✔ | 6 | 68 | 3 | 0.0 | 0.006 | 0.471 | (0;111) | ✗ | 05/01/17 |
KNbS2 | ICSD | 26286 | P6_3/mmc (194) | ✔ | 8 | 68 | 2 | 0.8125 | 1.390 | 0.000 | (0;000) | ✗ | 27/01/17 |
KNbSe2 | ICSD | 26288 | P6_3/mmc (194) | ✔ | 8 | 68 | 2 | 0.5237 | 1.181 | 0.000 | (0;000) | ✗ | 27/01/17 |
H5SeNO3 | COD | 2208335 | P-1 (2) | ✔ | 20 | 68 | 1 | 4.7987 | 4.863 | 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 |
Li4H5Rh | ICSD | 26225 | Cmcm (63) | ✔ | 20 | 68 | 1 | 0.0 | 0.040 | 0.723 | (0;110) | ✗ | 27/01/17 |
Na2AgAs | ICSD | 49007 | C222_1 (20) | ✗ | 8 | 68 | 1 | 0.6852 | 0.685 | 0.000 | (0;000) | ✗ | 06/10/16 |
BF2 | COD | 1510681 | P2_1/c (14) | ✔ | 12 | 68 | 1 | 5.0014 | 5.057 | 0.000 | (0;000) | ✗ | 05/01/17 |
GaBO3 | COD | 1520321 | R-3c (167) | ✔ | 10 | 68 | 3 | 4.3438 | 4.344 | 0.000 | (0;000) | ✗ | 05/01/17 |
Li2NiO3 | ICSD | 153094 | C2/m (12) | ✔ | 12 | 68 | 2 | 0.9465 | 1.169 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrZn2 | COD | 2310343 | Imma (74) | ✔ | 6 | 68 | 3 | 0.0 | 0.011 | 0.504 | (0;111) | ✗ | 27/01/17 |
KMgBi | ICSD | 616748 | P4/nmm (129) | ✔ | 6 | 68 | 1 | 0.0 | 0.015 | 0.028 | (1;000) | ✗ | 05/01/17 |
InBO3 | COD | 2010257 | R-3c (167) | ✔ | 10 | 68 | 3 | 3.0882 | 3.509 | 0.000 | (0;000) | ✗ | 05/01/17 |
ZnGeO3 | ICSD | 183725 | R3c (161) | ✗ | 10 | 68 | 3 | 0.6709 | 0.671 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na2ZnGe | COD | 2212047 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.0 | 0.008 | 0.168 | (1;110) | ✗ | 27/01/17 |
BMo | COD | 9008953 | I4_1/amd (141) | ✔ | 8 | 68 | 3 | 0.0 | 0.032 | 0.690 | (1;111) | ✗ | 27/01/17 |
VBO3 | COD | 7209472 | R-3c (167) | ✔ | 10 | 68 | 3 | 0.0 | 0.007 | 0.763 | (0;000) | ✗ | 27/01/17 |
NbVF6 | ICSD | 73353 | R-3 (148) | ✔ | 8 | 68 | 3 | 0.0 | 0.033 | 0.609 | (0;000) | ✗ | 27/01/17 |
Hf2Ni | COD | 1524523 | I4/mcm (140) | ✔ | 6 | 68 | 3 | 0.0 | 0.007 | 0.154 | (1;111) | ✗ | 27/01/17 |
KIO3 | ICSD | 247719 | R3 (146) | ✗ | 10 | 68 | 3 | 1.9552 | 1.956 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na2CuP | COD | 7221368 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.6224 | 0.756 | 0.000 | (0;000) | ✗ | 27/01/17 |
KIO3 | ICSD | 424864 | R3 (146) | ✗ | 10 | 68 | 3 | 2.2905 | 2.302 | 0.000 | (0;000) | ✗ | 06/10/16 |
InF3 | ICSD | 38306 | R-3c (167) | ✔ | 8 | 68 | 3 | 4.4815 | 4.509 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZnPbF6 | COD | 1527519 | R-3 (148) | ✔ | 8 | 68 | 3 | 1.4924 | 1.492 | 0.000 | (0;000) | ✗ | 27/01/17 |
Fe2O3 | COD | 1011267 | R-3c (167) | ✔ | 10 | 68 | 3 | 0.0 | 0.040 | 0.793 | (1;000) | ✗ | 27/01/17 |
Ca2CdPd2 | ICSD | 425471 | Immm (71) | ✔ | 5 | 68 | 3 | 0.0 | 0.029 | 0.632 | (0;111) | ✗ | 27/01/17 |
CaCd2 | ICSD | 58875 | Imma (74) | ✔ | 6 | 68 | 3 | 0.0 | 0.019 | 0.523 | (1;111) | ✗ | 27/01/17 |
NiGePt2 | ICSD | 87348 | Fmmm (69) | ✔ | 8 | 68 | 3 | 0.0 | 0.025 | 0.298 | (0;000) | ✗ | 27/01/17 |
ZnSnF6 | ICSD | 25012 | R-3 (148) | ✔ | 8 | 68 | 3 | 2.9957 | 3.013 | 0.000 | (0;000) | ✗ | 27/01/17 |
Pb2O | COD | 1010382 | Pn-3m (224) | ✔ | 6 | 68 | 3 | 0.0 | 0.000 | 0.208 | (0;111) | ✗ | 27/01/17 |
LiNbO3 | ICSD | 109458 | R3c (161) | ✗ | 10 | 68 | 3 | 3.5701 | 3.633 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiNbO3 | ICSD | 155360 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4643 | 3.506 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiNbO3 | ICSD | 155361 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4414 | 3.465 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiNbO3 | ICSD | 164260 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4367 | 3.460 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiNbO3 | ICSD | 164933 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4522 | 3.474 | 0.000 | (0;000) | ✗ | 06/10/16 |
YCuO2 | COD | 1531596 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 2.6666 | 2.667 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiNbO3 | ICSD | 167130 | R3c (161) | ✗ | 10 | 68 | 3 | 3.0567 | 3.070 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiNbO3 | ICSD | 169695 | R3c (161) | ✗ | 10 | 68 | 3 | 3.429 | 3.550 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiNbO3 | ICSD | 169696 | R3c (161) | ✗ | 10 | 68 | 3 | 3.0848 | 3.185 | 0.000 | (0;000) | ✗ | 06/10/16 |
In2Ni3Se2 | ICSD | 640141 | R-3m (166) | ✔ | 7 | 68 | 3 | 0.0 | 0.074 | 0.267 | (0;111) | ✗ | 27/01/17 |
LiNbO3 | ICSD | 169697 | R3c (161) | ✗ | 10 | 68 | 3 | 2.9964 | 3.103 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiNbO3 | ICSD | 247734 | R3c (161) | ✗ | 10 | 68 | 3 | 3.7912 | 3.902 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiNbO3 | ICSD | 28294 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4374 | 3.461 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiNbO3 | ICSD | 35014 | R3c (161) | ✗ | 10 | 68 | 3 | 3.5503 | 3.611 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiNbO3 | ICSD | 415526 | R3c (161) | ✗ | 10 | 68 | 3 | 3.5351 | 3.564 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiNbO3 | ICSD | 61118 | R3c (161) | ✗ | 10 | 68 | 3 | 3.5511 | 3.607 | 0.000 | (0;000) | ✗ | 06/10/16 |
InF3 | COD | 1528562 | R-3c (167) | ✔ | 8 | 68 | 3 | 0.0 | 0.001 | 0.075 | (0;000) | ✗ | 27/01/17 |
LiNbO3 | ICSD | 90743 | R-3c (167) | ✔ | 10 | 68 | 3 | 2.6599 | 2.693 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiNbO3 | ICSD | 94492 | R3c (161) | ✗ | 10 | 68 | 3 | 3.5371 | 3.599 | 0.000 | (0;000) | ✗ | 06/10/16 |
GaF3 | COD | 8100893 | R-3c (167) | ✔ | 8 | 68 | 3 | 5.2468 | 5.247 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiTaO3 | ICSD | 108874 | R3c (161) | ✗ | 10 | 68 | 3 | 3.7915 | 3.820 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiTaO3 | ICSD | 164259 | R3c (161) | ✗ | 10 | 68 | 3 | 3.8017 | 3.828 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiTaO3 | ICSD | 84226 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4507 | 3.498 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiTaO3 | ICSD | 84579 | R3c (161) | ✗ | 10 | 68 | 3 | 3.7989 | 3.825 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiTaO3 | ICSD | 9537 | R3c (161) | ✗ | 10 | 68 | 3 | 3.8149 | 3.837 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiTaO3 | ICSD | 9540 | R3c (161) | ✗ | 10 | 68 | 3 | 3.199 | 3.330 | 0.000 | (0;000) | ✗ | 06/10/16 |
In2Ni3S2 | ICSD | 640134 | R-3m (166) | ✔ | 7 | 68 | 3 | 0.0 | 0.051 | 0.258 | (0;111) | ✗ | 27/01/17 |
GaCl3 | ICSD | 413455 | C2/m (12) | ✔ | 8 | 68 | 1 | 4.2652 | 4.266 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaSiNi2 | ICSD | 412411 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 0.006 | 0.599 | (1;000) | ✗ | 27/01/17 |
LiNbO3 | COD | 9016248 | R-3 (148) | ✔ | 10 | 68 | 1 | 3.7653 | 3.863 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiNbO3 | COD | 1521772 | R-3c (167) | ✔ | 10 | 68 | 3 | 2.6596 | 2.693 | 0.000 | (0;000) | ✗ | 27/01/17 |
GaPPt5 | ICSD | 635044 | P4/mmm (123) | ✔ | 7 | 68 | 3 | 0.0 | 0.013 | 0.374 | (0;001) | ✗ | 27/01/17 |
Re2C | ICSD | 180376 | P6_3/mmc (194) | ✔ | 6 | 68 | 3 | 0.0 | 0.017 | 0.656 | (1;000) | ✗ | 27/01/17 |
BF2 | ICSD | 27867 | P2_1/c (14) | ✔ | 12 | 68 | 1 | 5.0014 | 5.057 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ni3C | COD | 1528750 | R-3c (167) | ✔ | 8 | 68 | 3 | 0.0 | 0.002 | 0.520 | (0;000) | ✗ | 27/01/17 |
CrHgF6 | COD | 1525284 | R-3 (148) | ✔ | 8 | 68 | 3 | 0.0069 | 0.033 | 0.000 | (0;000) | ✗ | 27/01/17 |
AgO | ICSD | 202543 | P2_1/c (14) | ✔ | 8 | 68 | 3 | 0.1696 | 0.666 | 0.000 | (0;000) | ✔ | 06/10/16 |
CaZn2 | ICSD | 418971 | Imma (74) | ✔ | 6 | 68 | 3 | 0.0 | 0.009 | 0.557 | (0;111) | ✗ | 27/01/17 |
ZnGeO3 | ICSD | 33722 | R-3 (148) | ✔ | 10 | 68 | 3 | 2.5296 | 2.693 | 0.000 | (0;000) | ✗ | 27/01/17 |
HfP | ICSD | 42914 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 0.034 | 0.345 | (1;000) | ✗ | 27/01/17 |
CaPd3C | ICSD | 108128 | Pm-3m (221) | ✔ | 5 | 68 | 3 | 0.0 | 0.000 | 0.602 | (0;000) | ✗ | 27/01/17 |
CdCO3 | COD | 9000100 | R-3c (167) | ✔ | 10 | 68 | 3 | 2.9606 | 3.873 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mn2Co2C | ICSD | 44353 | P4/mmm (123) | ✔ | 5 | 68 | 3 | 0.0 | 0.006 | 0.715 | (1;000) | ✗ | 27/01/17 |
ZrNi3 | COD | 1523228 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 0.001 | 0.335 | (0;000) | ✗ | 27/01/17 |
ZrTi2O | COD | 1525860 | Cmmm (65) | ✔ | 8 | 68 | 3 | 0.0 | 0.003 | 0.640 | (1;110) | ✗ | 27/01/17 |
ScTe | COD | 2018282 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 0.006 | 0.357 | (0;000) | ✗ | 27/01/17 |
K2CuAs | ICSD | 43936 | Cmcm (63) | ✔ | 8 | 68 | 1 | 1.1211 | 1.224 | 0.000 | (0;000) | ✗ | 30/01/17 |
Cd(N2O3)2 | COD | 9014750 | Pm3 (200) | ✔ | 11 | 68 | 3 | 0.0 | 0.007 | 0.558 | (0;111) | ✗ | 27/01/17 |
K2PAu | COD | 1008465 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.8255 | 0.826 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2SbAu | ICSD | 380340 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.863 | 0.965 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2SbAu | COD | 7209394 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.1268 | 0.189 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrTe5 | ICSD | 85506 | Cmcm (63) | ✔ | 12 | 68 | 2 | 0.0 | 0.041 | 0.021 | (1;110) | ✗ | 02/02/17 |
K2AgAs | ICSD | 1154 | C222_1 (20) | ✗ | 8 | 68 | 1 | 1.1805 | 1.308 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ti2CS | COD | 9008971 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 0.002 | 0.230 | (0;000) | ✗ | 27/01/17 |
GePt3 | ICSD | 77962 | I4/mcm (140) | ✔ | 8 | 68 | 3 | 0.0 | 0.002 | 0.133 | (0;000) | ✗ | 27/01/17 |