▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Y | ICSD | 187638 | C2/m (12) | ✔ | 2 | 22 | 3 | 0.0 | 0.054 | 0.460 | (1;110) | ✗ | 27/01/17 |
NbAl3 | ICSD | 608672 | I4/mmm (139) | ✔ | 4 | 22 | 3 | 0.0 | 0.014 | 0.227 | (0;000) | ✗ | 05/01/17 |
NiO2 | ICSD | 88720 | C2/m (12) | ✔ | 3 | 22 | 2 | 0.9834 | 1.142 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ge2W | ICSD | 9978 | I4/mmm (139) | ✔ | 3 | 22 | 3 | 0.0 | 0.047 | 0.375 | (0;000) | ✗ | 27/01/17 |
CuAu | COD | 1510113 | P4/mmm (123) | ✔ | 2 | 22 | 3 | 0.0 | 0.034 | 0.659 | (0;001) | ✗ | 05/01/17 |
ZrBr | COD | 4343762 | R-3m (166) | ✔ | 4 | 22 | 2 | 0.0 | 0.043 | 0.167 | (0;111) | ✗ | 27/01/17 |
SrHg | COD | 1523313 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.531 | (1;000) | ✗ | 27/01/17 |
YCu | ICSD | 629426 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.661 | (0;111) | ✗ | 27/01/17 |
RhN | ICSD | 167872 | F-43m (216) | ✗ | 2 | 22 | 3 | 0.0 | 0.031 | 0.689 | (1;000) | ✔ | 06/10/16 |
HgPt | COD | 1523215 | P4/mmm (123) | ✔ | 2 | 22 | 3 | 0.0 | 0.012 | 0.515 | (0;000) | ✗ | 27/01/17 |
Te2Pd | ICSD | 42554 | P-3m1 (164) | ✔ | 3 | 22 | 3 | 0.0 | 0.211 | 0.316 | (1;000) | ✗ | 06/10/16 |
NiO2 | COD | 1522025 | C2/m (12) | ✔ | 3 | 22 | 2 | 0.9834 | 1.142 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgHg | COD | 9008819 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.351 | 0.605 | (0;000) | ✗ | 27/01/17 |
NiHg | COD | 7221237 | P4/mmm (123) | ✔ | 2 | 22 | 3 | 0.0 | 0.006 | 0.723 | (0;000) | ✗ | 27/01/17 |
CdPt | ICSD | 102052 | P4/mmm (123) | ✔ | 2 | 22 | 3 | 0.0 | 0.008 | 0.525 | (1;110) | ✗ | 27/01/17 |
ScAg | COD | 1509537 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.602 | (0;111) | ✗ | 05/01/17 |
Si2Mo | COD | 1010282 | I4/mmm (139) | ✔ | 3 | 22 | 3 | 0.0 | 0.040 | 0.239 | (1;111) | ✗ | 27/01/17 |
Li2ZnGe | COD | 1528672 | F-43m (216) | ✗ | 4 | 22 | 3 | 0.0 | 0.419 | 0.069 | (0;000) | ✔ | 15/02/17 |
SiB6 | COD | 1511645 | Pm-3m (221) | ✔ | 7 | 22 | 3 | 0.4197 | 1.416 | 0.000 | (0;000) | ✗ | 05/01/17 |
YAu | COD | 1510318 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.564 | (0;111) | ✗ | 05/01/17 |
LiHPd | ICSD | 246613 | P4/mmm (123) | ✔ | 3 | 22 | 2 | 0.0 | 0.020 | 0.495 | (1;000) | ✗ | 27/01/17 |
Ag | COD | 1509145 | P6_3/mmc (194) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.772 | (0;000) | ✗ | 05/01/17 |
Si2W | COD | 1010283 | I4/mmm (139) | ✔ | 3 | 22 | 3 | 0.0 | 0.047 | 0.269 | (0;000) | ✗ | 27/01/17 |
NiO2 | COD | 9016308 | P-3m1 (164) | ✔ | 3 | 22 | 2 | 0.5221 | 0.662 | 0.000 | (0;000) | ✗ | 27/01/17 |
Al2Ru | ICSD | 609234 | I4/mmm (139) | ✔ | 3 | 22 | 3 | 0.0 | 0.028 | 0.615 | (0;000) | ✗ | 05/01/17 |
Li3BrO | ICSD | 67265 | Pm-3m (221) | ✔ | 5 | 22 | 1 | 4.0589 | 4.319 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScCu | COD | 1523972 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.621 | (0;111) | ✗ | 27/01/17 |
ZrCl | ICSD | 20145 | R-3m (166) | ✔ | 4 | 22 | 2 | 0.0 | 0.068 | 0.166 | (0;111) | ✗ | 27/01/17 |
CaAl4 | ICSD | 606298 | I4/mmm (139) | ✔ | 5 | 22 | 3 | 0.0 | 0.016 | 0.183 | (1;000) | ✗ | 05/01/17 |
Li3Tl | COD | 7221247 | Fm-3m (225) | ✔ | 4 | 22 | 1 | 0.0 | 0.000 | 0.826 | (0;000) | ✗ | 27/01/17 |
HfPt | COD | 1522741 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.755 | (0;111) | ✗ | 27/01/17 |
Sc | COD | 9008514 | P6_3/mmc (194) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.900 | (0;000) | ✗ | 27/01/17 |
Li2SbAu | COD | 1510216 | F-43m (216) | ✗ | 4 | 22 | 3 | 0.0 | 0.000 | 0.186 | (0;000) | ✔ | 15/02/17 |
ScAu | COD | 1510291 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.714 | (0;111) | ✗ | 05/01/17 |
HfN2 | ICSD | 290427 | P-6m2 (187) | ✗ | 3 | 22 | 3 | 0.0 | 0.033 | 0.203 | (0;000) | ✔ | 06/10/16 |
Li2AgSb | COD | 1509445 | F-43m (216) | ✗ | 4 | 22 | 3 | 0.0583 | 0.058 | 0.000 | (0;000) | ✔ | 15/02/17 |
SrAl4 | ICSD | 609418 | I4/mmm (139) | ✔ | 5 | 22 | 3 | 0.0 | 0.002 | 0.156 | (1;000) | ✗ | 05/01/17 |
La2Bi | ICSD | 616761 | I4/mmm (139) | ✔ | 6 | 22 | 3 | 0.0 | 0.006 | 0.576 | (1;111) | ✗ | 06/10/16 |
Y | ICSD | 281365 | P2_1/m (11) | ✔ | 2 | 22 | 1 | 0.0 | 0.000 | 0.850 | (1;000) | ✗ | 02/02/17 |
FeCl2 | COD | 9014952 | R-3m (166) | ✔ | 3 | 22 | 2 | 0.4967 | 0.504 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeCl2 | COD | 9009128 | R-3m (166) | ✔ | 3 | 22 | 2 | 0.4056 | 0.438 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeCl2 | COD | 9015767 | P-3m1 (164) | ✔ | 3 | 22 | 2 | 0.5433 | 0.550 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrCd | COD | 2310286 | Pm-3m (221) | ✔ | 2 | 22 | 1 | 0.0 | 0.000 | 0.565 | (1;000) | ✗ | 27/01/17 |
Te2Pt | COD | 9009116 | P-3m1 (164) | ✔ | 3 | 22 | 3 | 0.0 | 0.106 | 0.251 | (1;000) | ✗ | 27/01/17 |
TiPt | COD | 1523470 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.717 | (0;111) | ✗ | 27/01/17 |
TaAl3 | COD | 4312726 | I4/mmm (139) | ✔ | 4 | 22 | 3 | 0.0 | 0.004 | 0.180 | (0;000) | ✗ | 05/01/17 |
Al3V | ICSD | 609617 | I4/mmm (139) | ✔ | 4 | 22 | 3 | 0.0 | 0.008 | 0.187 | (0;000) | ✗ | 05/01/17 |
PtSe2 | COD | 9009117 | P-3m1 (164) | ✔ | 3 | 22 | 2 | 0.0 | 0.886 | 0.144 | (0;000) | ✗ | 27/01/17 |
ZnPt | COD | 1522602 | P4/mmm (123) | ✔ | 2 | 22 | 3 | 0.0 | 0.008 | 0.481 | (0;000) | ✗ | 27/01/17 |
LiAuC2 | ICSD | 411253 | P-6m2 (187) | ✗ | 4 | 22 | 1 | 1.3575 | 1.469 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiAgC2 | ICSD | 410868 | P-6m2 (187) | ✗ | 4 | 22 | 1 | 1.2334 | 2.032 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaO2 | ICSD | 180398 | Cmmm (65) | ✔ | 3 | 22 | 2 | 0.6441 | 1.164 | 0.000 | (0;000) | ✗ | 05/01/17 |
Be3N2 | ICSD | 185490 | R3m (160) | ✗ | 5 | 22 | 1 | 2.7756 | 3.816 | 0.000 | (0;000) | ✗ | 06/10/16 |
PtS2 | COD | 5910085 | P-3m1 (164) | ✔ | 3 | 22 | 2 | 0.4919 | 1.185 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cu | ICSD | 150681 | C2/m (12) | ✔ | 2 | 22 | 1 | 0.0 | 0.001 | 0.054 | (1;011) | ✗ | 02/02/17 |
ZrPd | ICSD | 55547 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.843 | (1;000) | ✗ | 27/01/17 |
CaO2 | ICSD | 20275 | I4/mmm (139) | ✔ | 3 | 22 | 1 | 1.5999 | 1.600 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeB | ICSD | 613898 | Cmcm (63) | ✔ | 4 | 22 | 3 | 0.0 | 0.000 | 0.669 | (0;000) | ✗ | 05/01/17 |
Y | COD | 9010984 | P6_3/mmc (194) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.918 | (0;000) | ✗ | 27/01/17 |
Li2CdGe | ICSD | 52803 | Fm-3m (225) | ✔ | 4 | 22 | 3 | 0.0 | 0.000 | 0.515 | (0;000) | ✗ | 27/01/17 |
BaAl4 | ICSD | 57513 | I4/mmm (139) | ✔ | 5 | 22 | 3 | 0.0 | 0.042 | 0.115 | (1;000) | ✗ | 05/01/17 |
MgH2 | ICSD | 168831 | P4_2/mnm (136) | ✔ | 6 | 24 | 1 | 3.7327 | 4.585 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ti | COD | 9008517 | P6_3/mmc (194) | ✔ | 2 | 24 | 3 | 0.0 | 0.006 | 0.332 | (1;000) | ✗ | 27/01/17 |
Sr(AlSi)2 | ICSD | 609338 | P-3m1 (164) | ✔ | 5 | 24 | 2 | 0.0 | 0.382 | 0.180 | (0;000) | ✗ | 05/01/17 |
Mg(HO)2 | COD | 9006332 | P-3m1 (164) | ✔ | 5 | 24 | 2 | 5.6084 | 5.608 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ti | COD | 9011600 | P6/mmm (191) | ✔ | 2 | 24 | 3 | 0.0 | 0.015 | 0.398 | (1;001) | ✗ | 27/01/17 |
Ni(HO)2 | ICSD | 28101 | P-3m1 (164) | ✔ | 5 | 24 | 2 | 0.0 | 0.031 | 0.501 | (0;000) | ✗ | 27/01/17 |
LaAl | ICSD | 54470 | Cmcm (63) | ✔ | 8 | 24 | 3 | 0.0 | 0.002 | 0.299 | (1;110) | ✗ | 06/10/16 |
La2O3 | ICSD | 56166 | P-3m1 (164) | ✔ | 5 | 24 | 3 | 3.0056 | 3.250 | 0.000 | (0;000) | ✗ | 06/10/16 |
Al2Pd | ICSD | 58116 | Fm-3m (225) | ✔ | 3 | 24 | 3 | 0.0 | 0.018 | 0.855 | (0;000) | ✗ | 05/01/17 |
Mg(AlSi)2 | ICSD | 156101 | P-3m1 (164) | ✔ | 5 | 24 | 3 | 0.0 | 0.735 | 0.315 | (0;000) | ✗ | 05/01/17 |
Rb2O | COD | 9009067 | Fm-3m (225) | ✔ | 3 | 24 | 3 | 1.4925 | 2.158 | 0.000 | (0;000) | ✗ | 27/01/17 |
YTl | COD | 1527195 | Pm-3m (221) | ✔ | 2 | 24 | 3 | 0.0 | 0.000 | 0.388 | (0;000) | ✗ | 27/01/17 |
BH3 | ICSD | 15598 | P2_1/c (14) | ✔ | 16 | 24 | 1 | 5.9279 | 5.928 | 0.000 | (0;000) | ✗ | 05/01/17 |
Sr(AlGe)2 | ICSD | 608014 | P-3m1 (164) | ✔ | 5 | 24 | 2 | 0.0 | 0.016 | 0.167 | (0;000) | ✗ | 05/01/17 |
ZrBeSi | ICSD | 76123 | P6_3/mmc (194) | ✔ | 6 | 24 | 3 | 0.0 | 0.006 | 0.162 | (1;000) | ✗ | 05/01/17 |
Ca(HO)2 | COD | 9000113 | P-3m1 (164) | ✔ | 5 | 24 | 1 | 4.3495 | 4.350 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiTe2 | COD | 1008063 | P-3m1 (164) | ✔ | 3 | 24 | 2 | 0.0 | 0.006 | 0.346 | (0;000) | ✗ | 27/01/17 |
Ca(AlGe)2 | COD | 8101147 | P-3m1 (164) | ✔ | 5 | 24 | 2 | 0.0 | 0.134 | 0.202 | (0;000) | ✗ | 05/01/17 |
Mg(AlH4)2 | ICSD | 152538 | P-3m1 (164) | ✔ | 11 | 24 | 3 | 4.2588 | 4.779 | 0.000 | (0;000) | ✗ | 05/01/17 |
TiS2 | ICSD | 79803 | C2/m (12) | ✔ | 3 | 24 | 2 | 0.0 | 0.377 | 0.035 | (0;000) | ✔ | 06/10/16 |
ZrBe5 | ICSD | 58757 | P6/mmm (191) | ✔ | 6 | 24 | 1 | 0.0 | 0.004 | 0.395 | (0;001) | ✗ | 05/01/17 |
LiBeP | COD | 9008325 | P4/nmm (129) | ✔ | 6 | 24 | 1 | 1.1973 | 1.585 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ca(AlSi)2 | COD | 1529999 | P-3m1 (164) | ✔ | 5 | 24 | 2 | 0.0 | 0.524 | 0.208 | (0;000) | ✗ | 05/01/17 |
Mg2Ge | COD | 9009014 | Fm-3m (225) | ✔ | 3 | 24 | 3 | 0.0 | 1.011 | 0.030 | (0;000) | ✗ | 27/01/17 |
MgCl2 | ICSD | 51245 | P-4m2 (115) | ✗ | 3 | 24 | 2 | 4.679 | 5.054 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaBi | ICSD | 616837 | P4/mmm (123) | ✔ | 2 | 24 | 2 | 0.0 | 0.099 | 0.424 | (1;000) | ✗ | 05/01/17 |
Ba(AlGe)2 | COD | 1532740 | I4/mmm (139) | ✔ | 5 | 24 | 2 | 0.0 | 0.028 | 0.264 | (0;000) | ✗ | 05/01/17 |
Ba(AlSi)2 | ICSD | 153385 | I4/mmm (139) | ✔ | 5 | 24 | 2 | 0.0 | 0.000 | 0.319 | (1;000) | ✗ | 05/01/17 |
CaH2 | ICSD | 157943 | P6_3/mmc (194) | ✔ | 6 | 24 | 1 | 1.1892 | 3.109 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrGe2 | COD | 2310672 | Cmcm (63) | ✔ | 6 | 24 | 3 | 0.0 | 0.008 | 0.223 | (1;110) | ✗ | 27/01/17 |
PdO | COD | 1011329 | P4/mmm (123) | ✔ | 2 | 24 | 2 | 0.0 | 0.009 | 0.422 | (0;110) | ✗ | 27/01/17 |
LiAl | ICSD | 262069 | P6_3/mmc (194) | ✔ | 8 | 24 | 1 | 0.0 | 0.000 | 0.353 | (0;000) | ✗ | 05/01/17 |
O2 | ICSD | 164724 | P6_3/mmc (194) | ✔ | 4 | 24 | 1 | 0.0 | 0.002 | 0.588 | (1;000) | ✗ | 27/01/17 |
Li4ZrGe2 | COD | 1533277 | R-3m (166) | ✔ | 7 | 24 | 1 | 0.0 | 0.008 | 0.572 | (1;000) | ✗ | 27/01/17 |
WN2 | ICSD | 290433 | P-6m2 (187) | ✗ | 3 | 24 | 3 | 0.8125 | 1.046 | 0.000 | (0;000) | ✗ | 06/10/16 |
PdO | ICSD | 41617 | I4/mmm (139) | ✔ | 2 | 24 | 3 | 0.0 | 0.011 | 0.625 | (0;000) | ✗ | 27/01/17 |
Rb2Te | ICSD | 55115 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 1.7624 | 1.976 | 0.000 | (0;000) | ✗ | 06/10/16 |
MgBr2 | COD | 9009107 | P-3m1 (164) | ✔ | 3 | 24 | 2 | 4.1115 | 4.112 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaPb | ICSD | 58918 | P4/mmm (123) | ✔ | 2 | 24 | 2 | 0.0 | 0.011 | 0.457 | (1;000) | ✗ | 27/01/17 |