▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sr3SnO | COD | 1530998 | Pm-3m (221) | ✔ | 5 | 50 | 1 | 0.0 | 0.013 | 0.012 | (0;000) | ✗ | 27/01/17 |
K4BeAs2 | ICSD | 300111 | R-3m (166) | ✔ | 7 | 50 | 1 | 0.8884 | 0.888 | 0.000 | (0;000) | ✗ | 30/01/17 |
TaSe2 | COD | 2310532 | P6_3/mmc (194) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.841 | (0;001) | ✗ | 27/01/17 |
ZrCl3 | ICSD | 23944 | P6_3/mcm (193) | ✔ | 8 | 50 | 1 | 0.0 | 0.000 | 0.502 | (0;000) | ✗ | 02/02/17 |
TaSe2 | ICSD | 24318 | R3m (160) | ✗ | 6 | 50 | 1 | 0.0 | 0.012 | 0.796 | ? | ✗ | 15/02/17 |
ZrI3 | COD | 5910008 | P6_3/mcm (193) | ✔ | 8 | 50 | 1 | 0.0 | 0.000 | 0.593 | (0;000) | ✗ | 02/02/17 |
AgB(CN)4 | ICSD | 411179 | P-43m (215) | ✗ | 10 | 50 | 3 | 4.2688 | 4.338 | 0.000 | (0;000) | ✗ | 15/02/17 |
TaS2 | ICSD | 24757 | R-3m (166) | ✔ | 6 | 50 | 1 | 0.0 | 0.002 | 0.929 | (1;000) | ✗ | 27/01/17 |
TaS2 | ICSD | 52117 | R3m (160) | ✗ | 6 | 50 | 1 | 0.0 | 0.013 | 0.851 | ? | ✗ | 15/02/17 |
BaZnBO3F | ICSD | 248042 | P-6 (174) | ✗ | 7 | 50 | 3 | 3.7899 | 4.365 | 0.000 | (0;000) | ✗ | 15/02/17 |
AlSiTe3 | ICSD | 75001 | P-3 (147) | ✔ | 10 | 50 | 2 | 0.7578 | 1.020 | 0.000 | (0;000) | ✗ | 30/01/17 |
KNa2CuO2 | COD | 2101592 | I4mm (107) | ✗ | 6 | 50 | 1 | 1.595 | 1.886 | 0.000 | (0;000) | ✗ | 15/02/17 |
Ti3Sn | ICSD | 106087 | Pm-3m (221) | ✔ | 4 | 50 | 3 | 0.0 | 0.000 | 0.524 | (1;000) | ✗ | 27/01/17 |
NbO2 | ICSD | 56018 | P4_2/mnm (136) | ✔ | 6 | 50 | 3 | 0.0 | 0.000 | 0.924 | (0;000) | ✗ | 27/01/17 |
Al12W | ICSD | 58207 | Im3 (204) | ✔ | 13 | 50 | 3 | 0.0 | 0.006 | 0.423 | (0;000) | ✗ | 30/01/17 |
Ti2CuSb3 | COD | 1526687 | P-4m2 (115) | ✗ | 6 | 50 | 3 | 0.0 | 0.001 | 0.797 | ? | ✗ | 15/02/17 |
Mn2SiRu | ICSD | 182830 | F-43m (216) | ✗ | 4 | 50 | 3 | 0.0 | 0.000 | 0.848 | ? | ✗ | 15/02/17 |
Mn2AlCo | ICSD | 160703 | F-43m (216) | ✗ | 4 | 50 | 3 | 0.0 | 0.000 | 0.698 | ? | ✗ | 15/02/17 |
NbTe2 | COD | 2101235 | P4/m (83) | ✔ | 6 | 50 | 1 | 0.0 | 0.007 | 0.538 | (1;001) | ✗ | 02/02/17 |
Cu(HO)2 | COD | 9007849 | Cmc2_1 (36) | ✗ | 10 | 50 | 2 | 0.0 | 0.000 | 0.982 | ? | ✗ | 15/02/17 |
TaS2 | COD | 9007815 | P6_3/mmc (194) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.863 | (1;000) | ✗ | 27/01/17 |
TiBrO | ICSD | 240499 | Pmma (51) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.548 | (0;001) | ✗ | 02/02/17 |
Zr2Rh | COD | 1524522 | I4/mcm (140) | ✔ | 6 | 50 | 3 | 0.0 | 0.000 | 0.779 | (0;111) | ✗ | 27/01/17 |
NbS2 | ICSD | 43697 | P6_3/mmc (194) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.850 | (1;000) | ✗ | 27/01/17 |
Hf2CuSb3 | COD | 1526691 | P-4m2 (115) | ✗ | 6 | 50 | 3 | 0.0 | 0.003 | 0.820 | ? | ✗ | 15/02/17 |
NbSe2 | COD | 9014575 | P6_3/mmc (194) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.905 | (0;000) | ✗ | 27/01/17 |
CdClO | COD | 9016472 | P6_3mc (186) | ✗ | 6 | 50 | 2 | 0.0 | 0.000 | 0.749 | ? | ✗ | 15/02/17 |
Sr3PbO | COD | 1525463 | Pm-3m (221) | ✔ | 5 | 50 | 1 | 0.024 | 0.024 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiI3 | COD | 2019712 | R-3 (148) | ✔ | 8 | 50 | 1 | 2.7095 | 2.751 | 0.000 | (0;000) | ✗ | 02/02/17 |
Al12Mo | ICSD | 608577 | Im3 (204) | ✔ | 13 | 50 | 3 | 0.0 | 0.003 | 0.443 | (0;000) | ✗ | 30/01/17 |
HgSBr | COD | 1531031 | P2_1/m (11) | ✔ | 6 | 50 | 1 | 0.0 | 0.000 | 0.690 | (0;011) | ✗ | 02/02/17 |
Ba2As | COD | 9008352 | I4/mmm (139) | ✔ | 6 | 50 | 1 | 0.0 | 0.017 | 0.368 | (0;111) | ✗ | 30/01/17 |
ZrBr3 | ICSD | 23945 | P6_3/mcm (193) | ✔ | 8 | 50 | 1 | 0.0 | 0.000 | 0.543 | (0;000) | ✗ | 02/02/17 |
K4BeP2 | ICSD | 300110 | R-3m (166) | ✔ | 7 | 50 | 1 | 1.1639 | 1.189 | 0.000 | (0;000) | ✗ | 02/02/17 |
YTl3 | COD | 1527196 | Pm-3m (221) | ✔ | 4 | 50 | 3 | 0.0 | 0.032 | 0.441 | (0;111) | ✗ | 27/01/17 |
NbSe2 | ICSD | 645383 | P6_3/mmc (194) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.896 | (1;000) | ✗ | 27/01/17 |
VO2 | COD | 4336391 | P4_2/mnm (136) | ✔ | 6 | 50 | 3 | 0.0 | 0.000 | 0.875 | (0;000) | ✗ | 27/01/17 |
CsLiMoO4 | ICSD | 20805 | F-43m (216) | ✗ | 7 | 50 | 3 | 4.6644 | 4.829 | 0.000 | (0;000) | ✗ | 15/02/17 |
Sr2Sb | COD | 9008353 | I4/mmm (139) | ✔ | 6 | 50 | 1 | 0.0 | 0.013 | 0.055 | (0;111) | ✗ | 02/02/17 |
Ba2Sb | ICSD | 41837 | I4/mmm (139) | ✔ | 6 | 50 | 1 | 0.0 | 0.024 | 0.277 | (0;111) | ✗ | 02/02/17 |
SiBr3 | COD | 2019711 | C2/m (12) | ✔ | 8 | 50 | 1 | 4.0947 | 4.095 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrCl3 | ICSD | 43292 | P-31m (162) | ✔ | 8 | 50 | 1 | 0.0 | 0.160 | 0.200 | (0;000) | ✗ | 02/02/17 |
CuB(CN)4 | COD | 4308583 | P-43m (215) | ✗ | 10 | 50 | 3 | 3.2086 | 3.310 | 0.000 | (0;000) | ✗ | 15/02/17 |
RbTeAu | COD | 1510283 | Pmma (51) | ✔ | 6 | 52 | 1 | 0.7785 | 0.779 | 0.000 | (0;000) | ✗ | 02/02/17 |
HCBr3 | COD | 1504397 | P6_3 (173) | ✗ | 10 | 52 | 1 | 3.6186 | 3.620 | 0.000 | (0;000) | ✗ | 22/03/17 |
CsLiH4SO5 | ICSD | 200780 | Cm (8) | ✗ | 12 | 52 | 1 | 4.4294 | 4.773 | 0.000 | (0;000) | ✗ | 15/02/17 |
KSbS2 | ICSD | 641324 | C2/c (15) | ✔ | 8 | 52 | 1 | 1.4975 | 1.501 | 0.000 | (0;000) | ✗ | 02/02/17 |
KHgSb | ICSD | 56201 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.2395 | 0.325 | 0.000 | (1;110) | ✗ | 02/02/17 |
P2Os | COD | 9012560 | Pnnm (58) | ✔ | 6 | 52 | 3 | 0.6977 | 0.981 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgI2 | COD | 9014434 | P4_2/nmc (137) | ✔ | 6 | 52 | 2 | 0.8955 | 0.896 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbLiBr2 | ICSD | 30719 | Cmcm (63) | ✔ | 8 | 52 | 1 | 4.3123 | 4.312 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cd(HO)2 | ICSD | 40185 | Cm (8) | ✗ | 10 | 52 | 3 | 0.0243 | 0.237 | 0.000 | (0;000) | ✔ | 15/02/17 |
RbLiCl2 | ICSD | 36216 | Cmcm (63) | ✔ | 8 | 52 | 1 | 5.2413 | 5.241 | 0.000 | (0;000) | ✗ | 02/02/17 |
InHO2 | COD | 1527723 | Pmn2_1 (31) | ✗ | 8 | 52 | 3 | 2.1505 | 2.151 | 0.000 | (0;000) | ✗ | 15/02/17 |
CuCSN | ICSD | 32578 | P6_3mc (186) | ✗ | 8 | 52 | 3 | 2.1727 | 2.173 | 0.000 | (0;000) | ✗ | 15/02/17 |
ZnSiP2 | ICSD | 657290 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.2666 | 1.267 | 0.000 | (0;000) | ✗ | 15/02/17 |
CdHClO | ICSD | 91087 | P6_3mc (186) | ✗ | 8 | 52 | 2 | 2.6132 | 2.613 | 0.000 | (0;000) | ✗ | 15/02/17 |
Sr(PRu)2 | ICSD | 648030 | I4/mmm (139) | ✔ | 5 | 52 | 2 | 0.0 | 0.001 | 0.650 | (1;000) | ✗ | 27/01/17 |
H4CN | COD | 2100668 | P2_1/c (14) | ✔ | 24 | 52 | 1 | 4.4325 | 4.433 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ta | ICSD | 54207 | P4/mbm (127) | ✔ | 4 | 52 | 1 | 0.0 | 0.000 | 0.998 | (1;001) | ✗ | 29/03/17 |
TeI | COD | 1527659 | C2/m (12) | ✔ | 8 | 52 | 2 | 0.4248 | 0.727 | 0.000 | (0;000) | ✗ | 02/02/17 |
Al6Fe | ICSD | 607497 | Cmcm (63) | ✔ | 14 | 52 | 3 | 0.0 | 0.003 | 0.288 | (0;110) | ✗ | 30/01/17 |
AlCuTe2 | ICSD | 28735 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.3259 | 1.326 | 0.000 | (0;000) | ✗ | 16/03/17 |
WO2 | COD | 5910153 | Cmmm (65) | ✔ | 6 | 52 | 3 | 0.0 | 0.042 | 0.443 | (0;110) | ✗ | 27/01/17 |
Li10BrN3 | ICSD | 78819 | P-6m2 (187) | ✗ | 14 | 52 | 1 | 1.4385 | 1.798 | 0.000 | (0;000) | ✗ | 15/02/17 |
Mn2CoSb | ICSD | 160709 | F-43m (216) | ✗ | 4 | 52 | 3 | 0.0 | 0.010 | 0.281 | (0;000) | ✔ | 15/02/17 |
Zr3Sn | COD | 1528001 | Pm-3n (223) | ✔ | 8 | 52 | 3 | 0.0 | 0.002 | 0.932 | (1;000) | ✗ | 27/01/17 |
Sr3(AlGe2)2 | ICSD | 417968 | C2/m (12) | ✔ | 9 | 52 | 2 | 0.0 | 0.044 | 0.050 | (1;110) | ✗ | 30/01/17 |
BaMg(CO2)2 | ICSD | 193061 | C2/m (12) | ✔ | 8 | 52 | 1 | 1.5397 | 1.540 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrZnSi | ICSD | 86388 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.024 | 0.246 | (0;000) | ✗ | 27/01/17 |
PbSe2 | ICSD | 174577 | I4/mcm (140) | ✔ | 6 | 52 | 3 | 0.0 | 0.110 | 0.122 | (0;000) | ✗ | 27/01/17 |
Sb2Os | COD | 9012562 | Pnnm (58) | ✔ | 6 | 52 | 3 | 0.3674 | 0.980 | 0.000 | (0;000) | ✗ | 27/01/17 |
WO2 | ICSD | 647647 | P4_2/mnm (136) | ✔ | 6 | 52 | 3 | 0.0 | 0.002 | 0.158 | (0;000) | ✗ | 27/01/17 |
H4CN | COD | 2100665 | P2_1/c (14) | ✔ | 24 | 52 | 1 | 4.7319 | 4.878 | 0.000 | (0;000) | ✗ | 04/08/17 |
H4CN | COD | 2100671 | P2_1/c (14) | ✔ | 24 | 52 | 1 | 4.4543 | 4.534 | 0.000 | (0;000) | ✗ | 04/08/17 |
AsI3 | COD | 9008098 | R-3 (148) | ✔ | 8 | 52 | 1 | 1.9735 | 2.033 | 0.000 | (0;000) | ✗ | 30/01/17 |
SnO2 | COD | 1526637 | P4_2/mnm (136) | ✔ | 6 | 52 | 3 | 1.1983 | 1.198 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr(POs)2 | ICSD | 602096 | I4/mmm (139) | ✔ | 5 | 52 | 2 | 0.0 | 0.004 | 0.626 | (1;111) | ✗ | 27/01/17 |
SrPb3 | COD | 1523436 | P4/mmm (123) | ✔ | 4 | 52 | 3 | 0.0 | 0.003 | 0.554 | (1;110) | ✗ | 27/01/17 |
H6C2SeO | COD | 2015142 | P-1 (2) | ✔ | 20 | 52 | 1 | 4.0465 | 4.129 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnSiAs2 | ICSD | 611417 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.0819 | 1.082 | 0.000 | (0;000) | ✗ | 15/02/17 |
HCI3 | COD | 5900001 | P6_3 (173) | ✗ | 10 | 52 | 1 | 1.6658 | 1.794 | 0.000 | (0;000) | ✗ | 22/03/17 |
CsAuSe | COD | 1510104 | Cmcm (63) | ✔ | 6 | 52 | 1 | 1.5866 | 1.850 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbSbO2 | ICSD | 411216 | C2/c (15) | ✔ | 8 | 52 | 1 | 2.2136 | 2.222 | 0.000 | (0;000) | ✗ | 27/01/17 |
P2Ru | COD | 9012557 | Pnnm (58) | ✔ | 6 | 52 | 3 | 0.369 | 1.245 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbO2 | COD | 9011216 | P4_2/mnm (136) | ✔ | 6 | 52 | 3 | 0.0 | 0.025 | 0.003 | (0;000) | ✗ | 27/01/17 |
CdGeAs2 | ICSD | 16736 | I-42d (122) | ✗ | 8 | 52 | 3 | 0.0 | 0.051 | 0.027 | (1;000) | ✔ | 15/02/17 |
KBe2BO3F2 | ICSD | 77277 | R32 (155) | ✗ | 9 | 52 | 1 | 6.2765 | 6.286 | 0.000 | (0;000) | ✗ | 15/02/17 |
NaB3H8 | ICSD | 260964 | Pmmn (59) | ✔ | 24 | 52 | 1 | 4.6954 | 4.695 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaB3H8 | COD | 4337144 | Pmn2_1 (31) | ✗ | 24 | 52 | 1 | 6.0511 | 6.152 | 0.000 | (0;000) | ✗ | 04/08/17 |
CdSiAs2 | ICSD | 609979 | I-42d (122) | ✗ | 8 | 52 | 3 | 0.7925 | 0.794 | 0.000 | (0;000) | ✗ | 15/02/17 |
CsTeAu | COD | 1510107 | Pmma (51) | ✔ | 6 | 52 | 2 | 1.0182 | 1.018 | 0.000 | (0;000) | ✗ | 02/02/17 |
H5CNO2 | ICSD | 151222 | Pc (7) | ✗ | 18 | 52 | 1 | 5.1261 | 5.200 | 0.000 | (0;000) | ✗ | 15/02/17 |
Cd(BH4)2 | ICSD | 262600 | P4_2nm (102) | ✗ | 22 | 52 | 3 | 3.7041 | 3.716 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li2ZrTeO6 | COD | 1001503 | R3 (146) | ✗ | 10 | 52 | 3 | 1.7277 | 2.063 | 0.000 | (0;000) | ✗ | 15/02/17 |
H2SeO3 | ICSD | 427359 | P1 (1) | ✗ | 12 | 52 | 1 | 4.457 | 4.683 | 0.000 | (0;000) | ✗ | 15/02/17 |
Sb2Ru | COD | 9012559 | Pnnm (58) | ✔ | 6 | 52 | 3 | 0.0 | 0.545 | 0.010 | (0;000) | ✗ | 27/01/17 |
GaHO2 | ICSD | 420004 | Pmn2_1 (31) | ✗ | 8 | 52 | 3 | 3.2621 | 3.336 | 0.000 | (0;000) | ✗ | 15/02/17 |
AlAgTe2 | ICSD | 28746 | I-42d (122) | ✗ | 8 | 52 | 3 | 0.846 | 0.850 | 0.000 | (0;000) | ✗ | 07/10/16 |
AlBiO3 | ICSD | 171708 | R3c (161) | ✗ | 10 | 52 | 3 | 2.5618 | 2.727 | 0.000 | (0;000) | ✗ | 06/10/16 |