▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Zr5Sb3P | ICSD | 648093 | P6_3/mcm (193) | ✔ | 18 | 80 | 3 | 0.0 | 0.000 | 0.817 | (0;000) | ✗ | 02/02/17 |
KP(HO2)2 | ICSD | 186817 | C222_1 (20) | ✗ | 16 | 80 | 2 | 6.4968 | 6.643 | 0.000 | (0;000) | ✗ | 15/02/17 |
RbP(HO2)2 | ICSD | 69317 | I-42d (122) | ✗ | 16 | 80 | 3 | 5.5219 | 5.567 | 0.000 | (0;000) | ✗ | 28/03/17 |
TlF | ICSD | 9873 | Pma2 (28) | ✗ | 8 | 80 | 2 | 0.0 | 0.011 | 0.067 | (1;000) | ✔ | 15/02/17 |
S3(NO)2 | COD | 7221393 | C2/c (15) | ✔ | 14 | 80 | 1 | 1.241 | 1.348 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ag2O3 | COD | 1509692 | Fdd2 (43) | ✗ | 10 | 80 | 3 | 0.4982 | 0.687 | 0.000 | (0;000) | ✔ | 16/03/17 |
CoCuP2O7 | ICSD | 75379 | P1 (1) | ✗ | 11 | 80 | 3 | 0.0 | 0.032 | 0.545 | ? | ✗ | 15/02/17 |
N2 | COD | 9014232 | Pmna (53) | ✔ | 16 | 80 | 1 | 0.0 | 0.002 | 0.369 | (1;100) | ✗ | 02/02/17 |
SrTiS3 | ICSD | 651070 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 0.0 | 0.026 | 0.078 | (0;000) | ✗ | 02/02/17 |
Na2ZrSe3 | ICSD | 412158 | C2/m (12) | ✔ | 12 | 80 | 2 | 1.0681 | 1.371 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbP(HO2)2 | ICSD | 69318 | Fdd2 (43) | ✗ | 16 | 80 | 1 | 0.0 | 0.027 | 0.134 | (0;000) | ✔ | 29/03/17 |
H2C3O | COD | 2002929 | P-1 (2) | ✔ | 24 | 80 | 1 | 1.6811 | 1.714 | 0.000 | (0;000) | ✗ | 04/08/17 |
Rb3YF6 | COD | 1529659 | I4/mmm (139) | ✔ | 10 | 80 | 1 | 4.4515 | 4.452 | 0.000 | (0;000) | ✗ | 02/02/17 |
FeHgC4(SN)4 | ICSD | 87888 | I-4 (82) | ✗ | 14 | 80 | 3 | 0.0 | 0.005 | 0.899 | ? | ✗ | 21/03/17 |
Cs2ZrO3 | ICSD | 67345 | Cmcm (63) | ✔ | 12 | 80 | 2 | 3.7167 | 3.717 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2SiS3 | ICSD | 409176 | C2/m (12) | ✔ | 12 | 80 | 1 | 3.0578 | 3.089 | 0.000 | (0;000) | ✗ | 02/02/17 |
ScPS4 | ICSD | 67559 | P-1 (2) | ✔ | 12 | 80 | 2 | 1.8147 | 1.862 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li8SeN2 | ICSD | 247255 | I4_1md (109) | ✗ | 22 | 80 | 1 | 1.648 | 1.648 | 0.000 | (0;000) | ✗ | 04/08/17 |
KIO4 | ICSD | 26964 | I4_1/a (88) | ✔ | 12 | 80 | 3 | 0.0835 | 0.084 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbP(HO2)2 | ICSD | 54873 | Fdd2 (43) | ✗ | 16 | 80 | 3 | 0.0 | 0.006 | 0.019 | (1;000) | ✔ | 28/03/17 |
Zr3Fe2Si3 | ICSD | 633671 | Cmcm (63) | ✔ | 16 | 80 | 3 | 0.0 | 0.010 | 0.716 | (1;110) | ✗ | 02/02/17 |
Cs2GeSe3 | ICSD | 415215 | C2/m (12) | ✔ | 12 | 80 | 1 | 1.7854 | 1.887 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbIO4 | COD | 1521183 | I4_1/a (88) | ✔ | 12 | 80 | 1 | 2.9615 | 2.980 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2HIO | ICSD | 74930 | Pnma (62) | ✔ | 20 | 80 | 1 | 4.1333 | 4.133 | 0.000 | (0;000) | ✗ | 02/02/17 |
C5N4 | ICSD | 2130 | R3c (161) | ✗ | 18 | 80 | 3 | 6.2909 | 6.303 | 0.000 | (0;000) | ✗ | 21/03/17 |
RuO4 | ICSD | 415306 | C2/c (15) | ✔ | 10 | 80 | 1 | 2.4051 | 2.469 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsTa(PO4)2 | ICSD | 20726 | P-1 (2) | ✔ | 12 | 80 | 2 | 3.5265 | 3.612 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsNb(PO4)2 | ICSD | 88870 | C2/m (12) | ✔ | 12 | 80 | 2 | 2.9869 | 3.070 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaAl2O4 | COD | 1010039 | P6_322 (182) | ✗ | 14 | 80 | 3 | 3.8461 | 4.116 | 0.000 | (0;000) | ✗ | 16/03/17 |
RbNiCl3 | COD | 1527092 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 0.0 | 0.003 | 0.206 | (0;000) | ✗ | 02/02/17 |
SnSe | COD | 9008786 | Pnma (62) | ✔ | 8 | 80 | 2 | 0.4969 | 0.652 | 0.000 | (0;000) | ✗ | 02/02/17 |
PHF2 | ICSD | 406360 | P2_12_12_1 (19) | ✗ | 16 | 80 | 1 | 3.7561 | 3.781 | 0.000 | (0;000) | ✗ | 22/03/17 |
SrN6 | ICSD | 35226 | Fddd (70) | ✔ | 14 | 80 | 1 | 3.6409 | 3.751 | 0.000 | (0;000) | ✗ | 02/02/17 |
FeTe2 | ICSD | 633869 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.0324 | 0.108 | 0.000 | (0;000) | ✗ | 02/02/17 |
KAlSiO4 | COD | 9001818 | P31c (159) | ✗ | 14 | 80 | 3 | 4.7088 | 4.709 | 0.000 | (0;000) | ✗ | 16/03/17 |
KP(HO2)2 | COD | 9009237 | Fdd2 (43) | ✗ | 16 | 80 | 3 | 0.0 | 0.003 | 0.163 | (0;000) | ✔ | 28/03/17 |
Sb2Pt | COD | 9012348 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.0 | 0.170 | 0.036 | (0;000) | ✗ | 02/02/17 |
Br2O | ICSD | 50198 | Pna2_1 (33) | ✗ | 12 | 80 | 2 | 1.0922 | 1.294 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ca | ICSD | 162254 | P4_12_12 (92) | ✗ | 8 | 80 | 3 | 0.0 | 0.001 | 0.772 | ? | ✗ | 15/02/17 |
Rb2GeS3 | COD | 8100500 | C2/m (12) | ✔ | 12 | 80 | 1 | 2.3151 | 2.399 | 0.000 | (0;000) | ✗ | 02/02/17 |
KAlSiO4 | COD | 9002252 | P6_3 (173) | ✗ | 14 | 80 | 3 | 4.7175 | 4.777 | 0.000 | (0;000) | ✗ | 16/03/17 |
Cs3YF6 | COD | 1529660 | I4/mmm (139) | ✔ | 10 | 80 | 3 | 5.4624 | 5.462 | 0.000 | (0;000) | ✗ | 02/02/17 |
WSe2 | COD | 9012193 | P6_3/mmc (194) | ✔ | 6 | 80 | 2 | 0.8573 | 1.336 | 0.000 | (0;000) | ✗ | 11/04/17 |
SbCl5 | ICSD | 412111 | P6_3/mmc (194) | ✔ | 12 | 80 | 1 | 1.8539 | 1.854 | 0.000 | (0;000) | ✗ | 02/02/17 |
CO | ICSD | 40937 | R3c (161) | ✗ | 16 | 80 | 1 | 5.0941 | 5.145 | 0.000 | (0;000) | ✗ | 22/03/17 |
H2C3S | COD | 2016192 | P-1 (2) | ✔ | 24 | 80 | 1 | 0.0 | 0.081 | 0.158 | (0;000) | ✗ | 04/08/17 |
Sr2I2O | COD | 8102957 | Ibam (72) | ✔ | 10 | 80 | 1 | 3.1001 | 3.225 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(BS2)2 | COD | 1510637 | Cc (9) | ✗ | 14 | 80 | 1 | 2.6688 | 2.785 | 0.000 | (0;000) | ✗ | 21/03/17 |
Rb2SiS3 | COD | 8100236 | C2/m (12) | ✔ | 12 | 80 | 1 | 2.8708 | 2.943 | 0.000 | (0;000) | ✗ | 02/02/17 |
HNF2 | ICSD | 404200 | Pca2_1 (29) | ✗ | 16 | 80 | 1 | 5.0387 | 5.072 | 0.000 | (0;000) | ✗ | 15/02/17 |