▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
H2C2O | COD | 7054714 | P-1 (2) | ✔ | 20 | 64 | 1 | 3.9925 | 4.100 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiS2 | COD | 9016349 | P4_12_12 (92) | ✗ | 12 | 64 | 3 | 1.268 | 1.837 | 0.000 | (0;000) | ✗ | 29/03/17 |
SiO2 | COD | 9006296 | C2 (5) | ✗ | 12 | 64 | 3 | 5.3101 | 5.310 | 0.000 | (0;000) | ✗ | 15/02/17 |
CaZrSi2O7 | COD | 9004208 | C2 (5) | ✗ | 11 | 64 | 3 | 4.5504 | 4.594 | 0.000 | (0;000) | ✗ | 15/02/17 |
As(CN)3 | ICSD | 35330 | C2 (5) | ✗ | 14 | 64 | 2 | 1.6993 | 1.742 | 0.000 | (0;000) | ✗ | 21/03/17 |
SiC | COD | 2310588 | R3m (160) | ✗ | 16 | 64 | 3 | 1.6136 | 2.745 | 0.000 | (0;000) | ✗ | 22/03/17 |
Tl2S | ICSD | 27464 | P6_3/mmc (194) | ✔ | 6 | 64 | 1 | 0.5041 | 0.613 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaZrSe3 | ICSD | 616136 | P6_3/mmc (194) | ✔ | 10 | 64 | 1 | 0.0 | 0.005 | 0.254 | (0;000) | ✗ | 02/02/17 |
NaH4IO2 | COD | 7202888 | P-1 (2) | ✔ | 16 | 64 | 1 | 3.603 | 3.603 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2H3NO6 | ICSD | 415799 | P-62m (189) | ✗ | 12 | 64 | 1 | 3.355 | 3.611 | 0.000 | (0;000) | ✗ | 15/02/17 |
InFe2CuSe4 | ICSD | 160047 | I-42m (121) | ✗ | 8 | 64 | 3 | 0.0 | 0.005 | 0.480 | ? | ✗ | 15/02/17 |
Na3As | COD | 1010293 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.0712 | 0.071 | 0.000 | (0;000) | ✗ | 30/01/17 |
Cs2GeCl6 | COD | 1010389 | Fm-3m (225) | ✔ | 9 | 64 | 1 | 1.8603 | 1.860 | 0.000 | (0;000) | ✗ | 02/02/17 |
Al5C3N | COD | 2310415 | P6_3mc (186) | ✗ | 18 | 64 | 3 | 0.0 | 0.726 | 0.092 | (0;000) | ✔ | 24/04/17 |
H2C2O | COD | 7054718 | P2_1 (4) | ✗ | 20 | 64 | 1 | 3.8994 | 3.899 | 0.000 | (0;000) | ✗ | 21/03/17 |
YCl3 | COD | 1528118 | C2/m (12) | ✔ | 8 | 64 | 2 | 4.6408 | 4.771 | 0.000 | (0;000) | ✗ | 02/02/17 |
H2CN2 | COD | 2008559 | Cc (9) | ✗ | 20 | 64 | 1 | 5.2613 | 5.262 | 0.000 | (0;000) | ✗ | 22/03/17 |
BaCSNCl | ICSD | 94400 | P2_1/m (11) | ✔ | 10 | 64 | 1 | 4.1497 | 4.249 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiP | COD | 9015447 | P2_1/c (14) | ✔ | 16 | 64 | 1 | 0.8201 | 1.112 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrO2 | COD | 9009919 | Pca2_1 (29) | ✗ | 12 | 64 | 3 | 3.5103 | 3.622 | 0.000 | (0;000) | ✗ | 15/02/17 |
K3P | ICSD | 25550 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.2826 | 0.362 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbYTe2 | ICSD | 419996 | P6_3/mmc (194) | ✔ | 8 | 64 | 2 | 0.923 | 1.605 | 0.000 | (0;000) | ✗ | 02/02/17 |
KPS3 | ICSD | 33278 | Immm (71) | ✔ | 10 | 64 | 1 | 1.7043 | 1.718 | 0.000 | (0;000) | ✗ | 02/02/17 |
H2C2O | COD | 7054719 | P2_1 (4) | ✗ | 20 | 64 | 1 | 3.8651 | 3.865 | 0.000 | (0;000) | ✗ | 21/03/17 |
BaH4O3 | ICSD | 63017 | Pmc2_1 (26) | ✗ | 16 | 64 | 1 | 4.418 | 4.429 | 0.000 | (0;000) | ✗ | 15/02/17 |
CdP4 | ICSD | 620212 | P2_1/c (14) | ✔ | 10 | 64 | 2 | 0.4513 | 0.519 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2PdBr4 | COD | 2106711 | P4/mmm (123) | ✔ | 7 | 64 | 1 | 1.1261 | 1.126 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaTeH6O6F | ICSD | 42 | R3 (146) | ✗ | 15 | 64 | 1 | 3.6488 | 3.725 | 0.000 | (0;000) | ✗ | 15/02/17 |
GaFe2AgTe4 | ICSD | 192470 | I-42m (121) | ✗ | 8 | 64 | 3 | 0.0 | 0.003 | 0.538 | ? | ✗ | 16/03/17 |
Zr5Ge3 | ICSD | 76315 | P6_3/mcm (193) | ✔ | 16 | 64 | 3 | 0.0 | 0.001 | 0.563 | (1;000) | ✗ | 02/02/17 |
SiO2 | COD | 9006297 | P1 (1) | ✗ | 12 | 64 | 3 | 5.0781 | 5.078 | 0.000 | (0;000) | ✗ | 15/02/17 |
K2SiP2 | ICSD | 36367 | Ibam (72) | ✔ | 10 | 64 | 1 | 1.2106 | 1.784 | 0.000 | (0;000) | ✗ | 02/02/17 |
Si(CN2)2 | COD | 1526364 | Pn-3m (224) | ✔ | 14 | 64 | 3 | 4.2091 | 4.209 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cu3TeS3Cl | ICSD | 85789 | R3m (160) | ✗ | 8 | 64 | 3 | 0.8482 | 0.848 | 0.000 | (0;000) | ✗ | 15/02/17 |
SiO2 | COD | 9006290 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.6102 | 5.610 | 0.000 | (0;000) | ✗ | 15/02/17 |
Cs2PdCl4 | COD | 1532216 | P4/mmm (123) | ✔ | 7 | 64 | 1 | 1.6208 | 1.621 | 0.000 | (0;000) | ✗ | 02/02/17 |
ScCl3 | ICSD | 74517 | R-3 (148) | ✔ | 8 | 64 | 2 | 3.482 | 3.639 | 0.000 | (0;000) | ✗ | 02/02/17 |
KBeH3 | COD | 4343937 | P2_1/c (14) | ✔ | 20 | 64 | 1 | 3.2474 | 3.247 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbBeH3 | COD | 4343941 | P2_1/c (14) | ✔ | 20 | 64 | 1 | 3.2803 | 3.280 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrH4O3 | ICSD | 15366 | Pmc2_1 (26) | ✗ | 16 | 64 | 1 | 4.5819 | 4.590 | 0.000 | (0;000) | ✗ | 15/02/17 |
KSiH3 | ICSD | 65954 | Pnma (62) | ✔ | 20 | 64 | 1 | 2.4026 | 2.403 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na3SO4F | COD | 9000296 | R3m (160) | ✗ | 9 | 64 | 3 | 3.735 | 3.735 | 0.000 | (0;000) | ✗ | 15/02/17 |
K2PdCl4 | COD | 1010315 | P4/mmm (123) | ✔ | 7 | 64 | 1 | 1.5312 | 1.531 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na3Sb | COD | 1010292 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.2556 | 0.256 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2PtS6 | COD | 9014424 | P-3m1 (164) | ✔ | 9 | 64 | 1 | 0.0749 | 0.078 | 0.000 | (1;000) | ✗ | 02/02/17 |
SiO2 | ICSD | 154321 | P2_1 (4) | ✗ | 12 | 64 | 1 | 0.0 | 0.002 | 0.694 | ? | ✗ | 29/03/17 |
BaCdSb2 | ICSD | 52683 | I4/mmm (139) | ✔ | 8 | 64 | 1 | 0.0 | 0.030 | 0.180 | (0;000) | ✗ | 02/02/17 |
Si3N4 | COD | 1524456 | P6_3 (173) | ✗ | 14 | 64 | 3 | 1.4143 | 1.914 | 0.000 | (0;000) | ✗ | 15/02/17 |
H2O | COD | 1011024 | Ibam (72) | ✔ | 24 | 64 | 2 | 0.0 | 0.002 | 0.187 | (0;000) | ✗ | 04/08/17 |
K3Sb | COD | 1010296 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.3606 | 0.361 | 0.000 | (0;000) | ✗ | 02/02/17 |