▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
SrBiClO2 | ICSD | 84636 | Cmcm (63) | ✔ | 10 | 88 | 1 | 3.1208 | 3.196 | 0.000 | (0;000) | ✗ | 05/01/17 |
Sr3V2O8 | ICSD | 167701 | R-3m (166) | ✔ | 13 | 104 | 1 | 4.1826 | 4.367 | 0.000 | (0;000) | ✗ | 27/01/17 |
NO2 | ICSD | 28331 | P2_1/c (14) | ✔ | 12 | 68 | 1 | 2.5717 | 2.624 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiBiF6 | COD | 1527496 | R-3 (148) | ✔ | 8 | 60 | 1 | 4.6256 | 4.696 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaBiF6 | COD | 1527497 | R-3 (148) | ✔ | 8 | 66 | 1 | 2.9849 | 3.074 | 0.000 | (0;000) | ✗ | 05/01/17 |
Rb2NaBiF6 | ICSD | 9386 | Fm-3m (225) | ✔ | 10 | 84 | 1 | 4.1294 | 4.307 | 0.000 | (0;000) | ✗ | 05/01/17 |
Li2Ga | ICSD | 100051 | Cmcm (63) | ✔ | 6 | 38 | 1 | 0.0 | 0.000 | 0.778 | (1;110) | ✗ | 06/10/16 |
KLi6BiO6 | ICSD | 72840 | R-3m (166) | ✔ | 14 | 78 | 1 | 2.0022 | 2.002 | 0.000 | (0;000) | ✗ | 05/01/17 |
KMgBi | ICSD | 616748 | P4/nmm (129) | ✔ | 6 | 68 | 1 | 0.0 | 0.015 | 0.028 | (1;000) | ✗ | 05/01/17 |
KMnBi | ICSD | 601586 | P4/nmm (129) | ✔ | 6 | 78 | 1 | 0.0 | 0.000 | 0.834 | (1;000) | ✗ | 05/01/17 |
RbBiO2 | ICSD | 407208 | C2/c (15) | ✔ | 8 | 72 | 1 | 2.0422 | 2.042 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaBiO3 | COD | 1526788 | R-3 (148) | ✔ | 10 | 84 | 1 | 1.4476 | 1.542 | 0.000 | (0;000) | ✗ | 05/01/17 |
SrBiO3 | COD | 2000656 | Cmcm (63) | ✔ | 10 | 86 | 1 | 0.0 | 0.000 | 0.951 | (1;110) | ✗ | 05/01/17 |
K2CdPb | ICSD | 10041 | C2cm (40) | ✗ | 8 | 88 | 1 | 0.1156 | 0.312 | 0.000 | (0;000) | ✔ | 05/12/16 |
K2CdSn | ICSD | 620066 | C2cm (40) | ✗ | 8 | 88 | 1 | 0.0462 | 0.306 | 0.000 | (0;000) | ✔ | 05/12/16 |
LiB | ICSD | 236960 | P6_3/mmc (194) | ✔ | 4 | 12 | 1 | 0.0 | 0.002 | 0.218 | (0;000) | ✗ | 27/01/17 |
KNa2BN2 | ICSD | 236557 | I4/mmm (139) | ✔ | 6 | 40 | 1 | 1.9048 | 2.280 | 0.000 | (0;000) | ✗ | 05/01/17 |
KNa2BO3 | ICSD | 33261 | Pmmn (59) | ✔ | 14 | 96 | 1 | 2.9589 | 3.196 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaH | COD | 9008680 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 3.7143 | 4.558 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca3SiBr2 | COD | 1521781 | I4/mmm (139) | ✔ | 6 | 48 | 1 | 0.0 | 0.005 | 0.315 | (0;111) | ✗ | 27/01/17 |
Ca3SiBr2 | COD | 1521782 | Immm (71) | ✔ | 6 | 48 | 1 | 0.0 | 0.012 | 0.022 | (1;000) | ✗ | 27/01/17 |
Ca3SiBr2 | COD | 1521783 | P-3m1 (164) | ✔ | 6 | 48 | 1 | 0.0 | 0.005 | 0.399 | (0;000) | ✗ | 27/01/17 |
CsBr2F | ICSD | 84019 | P4/mmm (123) | ✔ | 4 | 30 | 1 | 1.4039 | 1.404 | 0.000 | (0;000) | ✗ | 27/01/17 |
KClO3 | ICSD | 188311 | R3m (160) | ✗ | 5 | 34 | 1 | 4.7094 | 4.710 | 0.000 | (0;000) | ✗ | 06/10/16 |
Mg3Ge | ICSD | 70070 | P-1 (2) | ✔ | 8 | 68 | 1 | 0.0 | 0.000 | 0.605 | (0;000) | ✗ | 06/10/16 |
MnClO3 | ICSD | 416749 | Ccm2_1 (36) | ✗ | 10 | 80 | 1 | 0.0 | 1.599 | 1.000 | (0;000) | ✔ | 06/10/16 |
RbClO3 | ICSD | 10283 | R3m (160) | ✗ | 5 | 34 | 1 | 5.3969 | 5.397 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbClO3 | ICSD | 36260 | R3m (160) | ✗ | 5 | 34 | 1 | 5.3577 | 5.830 | 0.000 | (0;000) | ✗ | 06/10/16 |
TlClO3 | ICSD | 76434 | R3m (160) | ✗ | 5 | 38 | 1 | 3.9476 | 4.010 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li5Br2N | ICSD | 78836 | Immm (71) | ✔ | 8 | 34 | 1 | 2.2057 | 2.383 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cr(ClO)2 | ICSD | 416750 | P2_1 (4) | ✗ | 10 | 80 | 1 | 0.0 | 2.337 | 1.000 | ? | ✗ | 06/10/16 |
S(ClO)2 | ICSD | 62970 | F2dd (43) | ✗ | 10 | 64 | 1 | 4.2223 | 4.232 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsGeCl3 | ICSD | 23121 | R3 (146) | ✗ | 5 | 34 | 1 | 2.3076 | 2.309 | 0.000 | (0;000) | ✗ | 28/10/16 |
Cs3LiCl4 | ICSD | 245969 | Cm2m (38) | ✗ | 8 | 58 | 1 | 4.5309 | 4.531 | 0.000 | (0;000) | ✗ | 28/10/16 |
ReNCl4 | ICSD | 10126 | P1 (1) | ✗ | 6 | 48 | 1 | 1.098 | 1.204 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsBr | COD | 9008788 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 4.492 | 4.492 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaHBr | COD | 9009166 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 3.6383 | 4.028 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsBrF6 | ICSD | 65712 | R-3 (148) | ✔ | 8 | 58 | 1 | 4.0018 | 4.002 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2CuBrO2 | COD | 2002429 | R-3m (166) | ✔ | 6 | 50 | 1 | 2.4164 | 2.627 | 0.000 | (0;000) | ✗ | 27/01/17 |
PH4Br | ICSD | 23691 | P4/nmm (129) | ✔ | 12 | 32 | 1 | 3.9308 | 4.105 | 0.000 | (0;000) | ✗ | 27/01/17 |
H4BrN | ICSD | 27724 | P4/nmm (129) | ✔ | 12 | 32 | 1 | 3.0741 | 3.074 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrBrF | ICSD | 35392 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 5.0428 | 5.043 | 0.000 | (0;000) | ✗ | 27/01/17 |
HBr | COD | 1010385 | Fm-3m (225) | ✔ | 2 | 8 | 1 | 0.0 | 0.000 | 0.199 | (0;000) | ✗ | 27/01/17 |
SrHBrO | ICSD | 407720 | C2/m (12) | ✔ | 8 | 48 | 1 | 4.3807 | 4.381 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sb | COD | 9013464 | P6_3/mmc (194) | ✔ | 2 | 10 | 1 | 0.0 | 0.000 | 0.874 | (1;000) | ✗ | 27/01/17 |
SiSe2 | ICSD | 24592 | Ibam (72) | ✔ | 6 | 32 | 1 | 2.1117 | 2.277 | 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 |
CsNO2 | ICSD | 50328 | P3_121 (152) | ✗ | 12 | 78 | 1 | 2.8488 | 3.021 | 0.000 | (0;000) | ✗ | 28/10/16 |
Cs3Li2F5 | ICSD | 245964 | Fmm2 (42) | ✗ | 10 | 68 | 1 | 5.7163 | 5.847 | 0.000 | (0;000) | ✗ | 28/10/16 |
Rb2S | COD | 9009068 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 2.1158 | 2.527 | 0.000 | (0;000) | ✗ | 27/01/17 |