▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Li2CO3 | COD | 2310703 | C2/c (15) | ✔ | 12 | 56 | 1 | 5.282 | 5.417 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2CN2 | COD | 4031435 | I4/mmm (139) | ✔ | 5 | 20 | 1 | 3.7439 | 3.744 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2CO3 | COD | 1531432 | P6_3/mcm (193) | ✔ | 12 | 56 | 1 | 3.5493 | 4.009 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaClO4 | COD | 1010214 | Cmcm (63) | ✔ | 12 | 80 | 1 | 3.4632 | 3.634 | 0.000 | (0;000) | ✗ | 27/01/17 |
KClO3 | COD | 1010217 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 1.326 | 1.347 | 0.000 | (0;000) | ✗ | 27/01/17 |
Tl3SbS4 | COD | 8103549 | P1 (1) | ✗ | 16 | 136 | 1 | 0.0 | 0.058 | 1.000 | ? | ✗ | 29/03/17 |
KClO2 | COD | 2014618 | Cmcm (63) | ✔ | 8 | 56 | 1 | 2.279 | 3.000 | 0.000 | (0;000) | ✗ | 27/01/17 |
KClO2 | COD | 9014207 | P2_1/m (11) | ✔ | 16 | 112 | 2 | 0.0 | 0.004 | 0.426 | (0;010) | ✗ | 27/01/17 |
TlV5S8 | COD | 1524378 | C2 (5) | ✗ | 14 | 126 | 3 | 0.0 | 0.001 | 0.550 | ? | ✗ | 29/03/17 |
Na3ClO | COD | 9007768 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 2.1182 | 2.118 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZnSb2 | COD | 9015418 | P-4n2 (118) | ✗ | 6 | 44 | 3 | 0.0 | 0.012 | 0.273 | (0;011) | ✔ | 29/03/17 |
KCl | COD | 1000050 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 5.5772 | 5.766 | 0.000 | (0;000) | ✗ | 27/01/17 |
KCl | COD | 9003138 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 5.12 | 5.120 | 0.000 | (0;000) | ✗ | 27/01/17 |
CO2 | COD | 1010150 | Pn-3m (224) | ✔ | 12 | 64 | 3 | 1.7292 | 1.729 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sc2Te3 | COD | 9008008 | Fddd (70) | ✔ | 20 | 160 | 3 | 0.0 | 0.006 | 0.217 | (1;111) | ✗ | 29/03/17 |
MnCO3 | COD | 1011228 | R-3c (167) | ✔ | 10 | 74 | 3 | 0.0 | 0.000 | 0.716 | (0;000) | ✗ | 27/01/17 |
Sc | COD | 4326666 | Ia3 (206) | ✔ | 16 | 176 | 3 | 0.0 | 0.000 | 0.865 | (1;000) | ✗ | 29/03/17 |
YClO | COD | 9009190 | P4/nmm (129) | ✔ | 6 | 48 | 3 | 4.19 | 4.190 | 0.000 | (0;000) | ✗ | 27/01/17 |
SbPbClO2 | COD | 9010005 | Cmcm (63) | ✔ | 10 | 76 | 1 | 0.0 | 1.773 | 1.000 | (0;000) | ✗ | 27/01/17 |
Sr2NCl | COD | 1528370 | R-3m (166) | ✔ | 4 | 32 | 1 | 1.8349 | 1.835 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrNCl | COD | 1521250 | R-3m (166) | ✔ | 6 | 32 | 2 | 1.1497 | 1.792 | 0.000 | (0;000) | ✗ | 27/01/17 |
VClO | COD | 2106692 | Pmmn (59) | ✔ | 6 | 52 | 2 | 0.0 | 0.002 | 0.323 | (1;001) | ✗ | 27/01/17 |
Cl2 | COD | 1512500 | Cmce (64) | ✔ | 4 | 28 | 1 | 2.3148 | 2.315 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ti2Sn3 | COD | 4000005 | Cmce (64) | ✔ | 20 | 264 | 3 | 0.0 | 0.010 | 0.504 | (1;110) | ✗ | 29/03/17 |
Cl2 | COD | 9013120 | Cmce (64) | ✔ | 4 | 28 | 1 | 2.5394 | 2.567 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiS | COD | 9015328 | R-3m (166) | ✔ | 6 | 54 | 3 | 0.0 | 0.005 | 0.828 | (1;111) | ✗ | 29/03/17 |
MgCO6 | COD | 5910029 | R-3m (166) | ✔ | 8 | 50 | 3 | 0.0 | 0.017 | 0.392 | (0;000) | ✗ | 27/01/17 |
ScCl | COD | 4343683 | R-3m (166) | ✔ | 4 | 36 | 2 | 0.0 | 0.004 | 0.709 | (0;000) | ✗ | 27/01/17 |
RbCl | COD | 1011313 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 5.7453 | 5.753 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZnS | COD | 9000085 | P6_3mc (186) | ✗ | 20 | 180 | 3 | 2.0884 | 2.088 | 0.000 | (0;000) | ✗ | 29/03/17 |
ZnS | COD | 9000086 | P6_3mc (186) | ✗ | 16 | 144 | 3 | 2.1007 | 2.101 | 0.000 | (0;000) | ✗ | 29/03/17 |
ZnS | COD | 9013162 | P6_3mc (186) | ✗ | 12 | 108 | 3 | 2.1312 | 2.131 | 0.000 | (0;000) | ✗ | 29/03/17 |
RbCl | COD | 8103714 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 5.0035 | 5.004 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrTc2 | COD | 1501466 | P6_3/mmc (194) | ✔ | 12 | 136 | 3 | 26.7426 | 0.012 | 1.000 | (0;000) | ✗ | 29/03/17 |
MgCO3 | COD | 9001853 | R-3c (167) | ✔ | 10 | 64 | 3 | 5.1187 | 5.693 | 0.000 | (0;000) | ✗ | 27/01/17 |
TlTe | COD | 1521987 | I4/mcm (140) | ✔ | 16 | 152 | 3 | 2.2939 | 0.010 | 1.000 | (0;000) | ✗ | 29/03/17 |
TlCl | COD | 9008794 | Pm-3m (221) | ✔ | 2 | 20 | 1 | 1.6046 | 1.903 | 0.000 | (0;000) | ✗ | 27/01/17 |
W | COD | 9008583 | Pm-3n (223) | ✔ | 8 | 112 | 3 | 0.0 | 0.008 | 1.000 | (1;000) | ✗ | 29/03/17 |
MgNi3C | COD | 1100063 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.0 | 0.000 | 0.724 | (1;111) | ✗ | 27/01/17 |
Co2P2O7 | COD | 2009595 | C2/m (12) | ✔ | 11 | 86 | 3 | 0.0 | 0.010 | 0.460 | (1;000) | ✗ | 27/01/17 |
Nb2CS2 | COD | 1532143 | R-3m (166) | ✔ | 5 | 42 | 2 | 0.0 | 0.017 | 0.340 | (0;111) | ✗ | 27/01/17 |
SrCN2 | COD | 2204347 | R-3m (166) | ✔ | 4 | 24 | 1 | 3.2298 | 4.229 | 0.000 | (0;000) | ✗ | 27/01/17 |
MnCO3 | COD | 9007691 | R-3c (167) | ✔ | 10 | 74 | 3 | 0.0 | 0.001 | 0.699 | (0;000) | ✗ | 27/01/17 |
KTcO4 | COD | 1501467 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 1.4113 | 0.145 | 1.000 | (0;000) | ✗ | 10/04/17 |
NiCN2 | COD | 4307549 | P6_3/mmc (194) | ✔ | 8 | 48 | 3 | 0.0 | 0.035 | 0.177 | (0;000) | ✗ | 27/01/17 |
Nb2CS2 | COD | 1532142 | P-3m1 (164) | ✔ | 5 | 42 | 2 | 0.0 | 0.034 | 0.307 | (1;001) | ✗ | 27/01/17 |
Na2CO3 | COD | 9011304 | C2/m (12) | ✔ | 12 | 80 | 1 | 3.9041 | 3.923 | 0.000 | (0;000) | ✗ | 27/01/17 |
Y2Sn5Rh3 | COD | 1522512 | Cmc2_1 (36) | ✗ | 20 | 286 | 3 | 0.0 | 0.000 | 0.972 | ? | ✗ | 10/04/17 |
NaCO2 | COD | 8103690 | P2_1/c (14) | ✔ | 16 | 100 | 1 | 2.5411 | 2.613 | 0.000 | (0;000) | ✗ | 27/01/17 |
SnRh | COD | 7221174 | P2_13 (198) | ✗ | 8 | 124 | 3 | 0.0 | 0.000 | 0.365 | (0;100) | ✔ | 10/04/17 |