▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ba(GeAs)2 | COD | 2101579 | P4_2mc (105) | ✗ | 20 | 112 | 3 | 0.034 | 0.116 | 0.000 | (0;000) | ✔ | 26/04/17 |
Ag8S | COD | 2105382 | Imm2 (44) | ✗ | 9 | 94 | 3 | 0.0 | 0.003 | 0.259 | (1;100) | ✔ | 26/04/17 |
Ag3PO4 | COD | 1010324 | P-43n (218) | ✗ | 16 | 124 | 3 | 0.0 | 0.108 | 0.029 | (0;000) | ✔ | 26/04/17 |
Cr4InCuSe8 | ICSD | 250246 | F-43m (216) | ✗ | 14 | 128 | 3 | 0.0 | 0.001 | 0.263 | (0;001) | ✔ | 24/04/17 |
Al5C3N | COD | 2310415 | P6_3mc (186) | ✗ | 18 | 64 | 3 | 0.0 | 0.726 | 0.092 | (0;000) | ✔ | 24/04/17 |
BiIrSe | ICSD | 616741 | P2_13 (198) | ✗ | 12 | 152 | 3 | 0.4071 | 0.913 | 0.000 | (0;000) | ✔ | 13/04/17 |
K4ZnBi2 | COD | 7029492 | C222_1 (20) | ✗ | 14 | 156 | 1 | 0.0439 | 0.044 | 0.000 | (0;000) | ✔ | 13/04/17 |
PW3 | ICSD | 648282 | I-4 (82) | ✗ | 16 | 356 | 3 | 0.0 | 0.006 | 0.668 | ? | ✗ | 11/04/17 |
Zr3O | ICSD | 23402 | R32 (155) | ✗ | 16 | 72 | 3 | 0.0 | 0.000 | 0.299 | (0;111) | ✔ | 11/04/17 |
WO3 | ICSD | 86144 | P-42_1m (113) | ✗ | 16 | 184 | 3 | 0.7896 | 0.923 | 0.000 | (0;000) | ✗ | 11/04/17 |
K3HWS4O | ICSD | 425986 | Pmn2_1 (31) | ✗ | 20 | 172 | 1 | 2.3309 | 2.332 | 0.000 | (0;000) | ✗ | 11/04/17 |
RbGa3 | ICSD | 103943 | I-4m2 (119) | ✗ | 12 | 144 | 3 | 0.2287 | 0.411 | 0.000 | (0;000) | ✔ | 11/04/17 |
Pb5(IF4)2 | ICSD | 36334 | R3m (160) | ✗ | 15 | 140 | 1 | 0.903 | 1.450 | 0.000 | (0;000) | ✗ | 11/04/17 |
YCu(WO4)2 | ICSD | 36622 | P1 (1) | ✗ | 12 | 126 | 3 | 1.0866 | 1.304 | 0.000 | (0;000) | ✗ | 11/04/17 |
GaCuO2 | COD | 4342352 | Pna2_1 (33) | ✗ | 16 | 144 | 3 | 0.0321 | 0.033 | 0.000 | (0;000) | ✔ | 11/04/17 |
ZnHg3(SCl2)2 | ICSD | 420783 | P6_3mc (186) | ✗ | 20 | 176 | 2 | 0.0 | 0.095 | 0.073 | (0;000) | ✔ | 11/04/17 |
Ca2GePd2 | COD | 4002144 | Fdd2 (43) | ✗ | 10 | 120 | 3 | 0.0 | 0.051 | 0.309 | (0;000) | ✔ | 11/04/17 |
CuBi(WO4)2 | ICSD | 67569 | P1 (1) | ✗ | 12 | 130 | 3 | 0.9085 | 0.914 | 0.000 | (0;000) | ✗ | 11/04/17 |
Cu(BiO2)2 | COD | 2002233 | I4 (79) | ✗ | 14 | 130 | 3 | 0.0 | 0.015 | 0.180 | (0;000) | ✔ | 11/04/17 |
SiRh | ICSD | 79233 | P2_13 (198) | ✗ | 8 | 84 | 3 | 0.0 | 0.000 | 0.247 | (1;111) | ✔ | 10/04/17 |
Y2Sn5Rh3 | COD | 1522512 | Cmc2_1 (36) | ✗ | 20 | 286 | 3 | 0.0 | 0.000 | 0.972 | ? | ✗ | 10/04/17 |
Zr3Te | ICSD | 81539 | I-4 (82) | ✗ | 16 | 72 | 3 | 0.0 | 0.005 | 0.568 | ? | ✗ | 29/03/17 |
Ta | ICSD | 54206 | P-42_1m (113) | ✗ | 22 | 286 | 3 | 0.0 | 0.000 | 0.850 | ? | ✗ | 29/03/17 |
RbS | ICSD | 73176 | P-62m (189) | ✗ | 12 | 90 | 1 | 1.0177 | 1.286 | 0.000 | (0;000) | ✗ | 29/03/17 |
ZnSb2 | COD | 9015418 | P-4n2 (118) | ✗ | 6 | 44 | 3 | 0.0 | 0.012 | 0.273 | (0;011) | ✔ | 29/03/17 |
Ta3VS6 | ICSD | 651111 | P6_322 (182) | ✗ | 20 | 176 | 3 | 0.0 | 0.000 | 0.509 | ? | ✗ | 29/03/17 |
Tl4SiS4 | ICSD | 59170 | Cc (9) | ✗ | 18 | 160 | 3 | 0.2559 | 0.160 | 1.000 | ? | ✗ | 29/03/17 |
ReSe2 | ICSD | 650091 | P-6m2 (187) | ✗ | 12 | 108 | 1 | 0.0 | 0.000 | 0.801 | ? | ✗ | 29/03/17 |
ZnP4 | ICSD | 40428 | P4_12_12 (92) | ✗ | 20 | 128 | 3 | 0.6427 | 0.857 | 0.000 | (0;000) | ✗ | 29/03/17 |
Rb2S3 | COD | 1527164 | Cmc2_1 (36) | ✗ | 10 | 72 | 1 | 1.2787 | 1.345 | 0.000 | (0;000) | ✗ | 29/03/17 |
ScSnPt | ICSD | 411822 | P-62c (190) | ✗ | 18 | 210 | 3 | 0.0 | 0.000 | 0.554 | ? | ✗ | 29/03/17 |
Ti4P3 | ICSD | 648219 | I-43d (220) | ✗ | 14 | 126 | 3 | 0.0 | 0.000 | 0.966 | ? | ✗ | 29/03/17 |
Sc7P3 | ICSD | 648099 | P6_3mc (186) | ✗ | 20 | 184 | 3 | 0.0 | 0.000 | 0.821 | ? | ✗ | 29/03/17 |
TiSiOs | ICSD | 647795 | Ima2 (46) | ✗ | 18 | 192 | 3 | 0.0 | 0.036 | 0.576 | ? | ✗ | 29/03/17 |
Te2SO7 | ICSD | 643 | Pmn2_1 (31) | ✗ | 20 | 120 | 3 | 2.3945 | 2.421 | 0.000 | (0;000) | ✗ | 29/03/17 |
Te2O5 | ICSD | 191342 | P2_1 (4) | ✗ | 14 | 84 | 3 | 1.4685 | 1.470 | 0.000 | (0;000) | ✗ | 29/03/17 |
Tl3PO4 | ICSD | 23474 | P6_3 (173) | ✗ | 16 | 136 | 3 | 2.3754 | 2.680 | 0.000 | (0;000) | ✗ | 29/03/17 |
SiO2 | COD | 4124075 | P6_522 (179) | ✗ | 18 | 96 | 3 | 5.7746 | 5.912 | 0.000 | (0;000) | ✗ | 29/03/17 |
SiO2 | ICSD | 183701 | I-43m (217) | ✗ | 18 | 96 | 3 | 5.706 | 5.711 | 0.000 | (0;000) | ✗ | 29/03/17 |
Nb3Sb2Te5 | ICSD | 417101 | I-43m (217) | ✗ | 20 | 158 | 3 | 0.7725 | 0.972 | 0.000 | (0;000) | ✗ | 29/03/17 |
NaS | ICSD | 43405 | P-62m (189) | ✗ | 12 | 90 | 1 | 0.8537 | 1.655 | 0.000 | (0;000) | ✗ | 29/03/17 |
NaSbO7 | COD | 9014085 | P6_3mc (186) | ✗ | 18 | 112 | 1 | 0.0 | 0.002 | 0.723 | ? | ✗ | 29/03/17 |
NaVPO5 | COD | 1001468 | P2_1 (4) | ✗ | 16 | 114 | 2 | 0.0 | 0.001 | 0.648 | ? | ✗ | 29/03/17 |
Na3PS4 | ICSD | 72860 | P-42_1c (114) | ✗ | 16 | 112 | 1 | 2.3398 | 2.340 | 0.000 | (0;000) | ✗ | 29/03/17 |
Na3VS3O | COD | 2203124 | Cmc2_1 (36) | ✗ | 16 | 128 | 1 | 1.9108 | 1.947 | 0.000 | (0;000) | ✗ | 29/03/17 |
Pb(SN)2 | ICSD | 49539 | P2_12_12_1 (19) | ✗ | 20 | 144 | 1 | 1.3435 | 1.403 | 0.000 | (0;000) | ✗ | 29/03/17 |
Sn2Mo | ICSD | 77114 | P6_222 (180) | ✗ | 18 | 252 | 3 | 0.0 | 0.000 | 0.472 | ? | ✗ | 29/03/17 |
Na2MnO4 | ICSD | 39504 | P6_3mc (186) | ✗ | 14 | 114 | 1 | 0.0 | 0.000 | 0.654 | ? | ✗ | 29/03/17 |
MnTeMoO6 | ICSD | 163980 | P2_12_12 (18) | ✗ | 18 | 142 | 2 | 0.0 | 0.000 | 0.671 | ? | ✗ | 29/03/17 |
Na2MgSiO4 | ICSD | 15619 | Pc (7) | ✗ | 16 | 112 | 3 | 3.9447 | 4.042 | 0.000 | (0;000) | ✗ | 29/03/17 |
Mg3Ru2 | COD | 1523080 | P4_132 (213) | ✗ | 20 | 248 | 3 | 0.0 | 0.000 | 0.508 | ? | ✗ | 29/03/17 |
RbLiMoO4 | ICSD | 20641 | Cc (9) | ✗ | 14 | 100 | 1 | 4.634 | 4.651 | 0.000 | (0;000) | ✗ | 29/03/17 |
Li2SnSe3 | COD | 4001782 | Cc (9) | ✗ | 12 | 76 | 1 | 1.4145 | 1.415 | 0.000 | (0;000) | ✗ | 29/03/17 |
K(SnSe2)2 | ICSD | 72386 | Cm (8) | ✗ | 14 | 122 | 3 | 1.3797 | 1.505 | 0.000 | (0;000) | ✗ | 29/03/17 |
KYSiS4 | ICSD | 602576 | P2_1 (4) | ✗ | 14 | 96 | 1 | 2.8007 | 2.819 | 0.000 | (0;000) | ✗ | 29/03/17 |
K3SbS4 | ICSD | 402642 | Cmc2_1 (36) | ✗ | 16 | 112 | 1 | 2.3264 | 2.327 | 0.000 | (0;000) | ✗ | 29/03/17 |
K3NO3 | ICSD | 37204 | I4cm (108) | ✗ | 14 | 100 | 1 | 0.4742 | 0.571 | 0.000 | (0;000) | ✔ | 29/03/17 |
ZrSnIr | ICSD | 408901 | P-62c (190) | ✗ | 18 | 210 | 3 | 0.0 | 0.000 | 0.498 | ? | ✗ | 29/03/17 |
SbIrSe | ICSD | 640966 | P2_13 (198) | ✗ | 12 | 112 | 3 | 3.5112 | 1.511 | 1.000 | (0;000) | ✗ | 29/03/17 |
LiInSe2 | ICSD | 639900 | Pna2_1 (33) | ✗ | 16 | 112 | 3 | 1.9573 | 1.958 | 0.000 | (0;000) | ✗ | 29/03/17 |
KInP2S7 | ICSD | 91755 | C2 (5) | ✗ | 11 | 74 | 2 | 2.1891 | 2.189 | 0.000 | (0;000) | ✗ | 29/03/17 |
LiIO3 | COD | 1529780 | Pna2_1 (33) | ✗ | 20 | 112 | 1 | 2.9993 | 3.003 | 0.000 | (0;000) | ✗ | 29/03/17 |
LiMoIO6 | ICSD | 156006 | P2_1 (4) | ✗ | 18 | 120 | 2 | 2.2705 | 2.378 | 0.000 | (0;000) | ✗ | 29/03/17 |
TiI2O7 | ICSD | 424632 | Cmc2_1 (36) | ✗ | 20 | 136 | 1 | 2.5622 | 2.680 | 0.000 | (0;000) | ✗ | 29/03/17 |
MgPHO9 | COD | 9007436 | R3 (146) | ✗ | 12 | 70 | 1 | 0.0 | 0.009 | 0.216 | (0;000) | ✔ | 29/03/17 |
Tl2SiHgSe4 | ICSD | 247763 | I-42m (121) | ✗ | 8 | 66 | 3 | 0.5765 | 0.583 | 0.000 | (0;000) | ✗ | 29/03/17 |
Rb2SnHgTe4 | ICSD | 262390 | I-42m (121) | ✗ | 8 | 68 | 1 | 0.3755 | 0.886 | 0.000 | (0;000) | ✔ | 29/03/17 |
HfSnRh | ICSD | 107474 | P-62c (190) | ✗ | 18 | 258 | 3 | 0.0 | 0.000 | 0.493 | ? | ✗ | 29/03/17 |
Hf(PS3)2 | ICSD | 47228 | Fdd2 (43) | ✗ | 18 | 116 | 3 | 2.1364 | 2.253 | 0.000 | (0;000) | ✗ | 29/03/17 |
PH3 | COD | 1010132 | P4_232 (208) | ✗ | 16 | 32 | 1 | 0.0 | 0.002 | 0.604 | ? | ✗ | 29/03/17 |
RbP(HO2)2 | ICSD | 69318 | Fdd2 (43) | ✗ | 16 | 80 | 1 | 0.0 | 0.027 | 0.134 | (0;000) | ✔ | 29/03/17 |
KP(HO2)2 | COD | 9009237 | Fdd2 (43) | ✗ | 16 | 80 | 3 | 0.0 | 0.003 | 0.163 | (0;000) | ✔ | 28/03/17 |
KMnPH2O5 | ICSD | 71178 | Pmn2_1 (31) | ✗ | 20 | 122 | 1 | 0.0 | 0.000 | 0.886 | ? | ✗ | 28/03/17 |
YGePd | ICSD | 391466 | Imm2 (44) | ✗ | 18 | 198 | 3 | 0.0 | 0.001 | 0.958 | ? | ✗ | 22/03/17 |
Ge | COD | 9011057 | P4_32_12 (96) | ✗ | 12 | 48 | 3 | 0.4676 | 0.468 | 0.000 | (0;000) | ✔ | 22/03/17 |
TaMnGe | ICSD | 637097 | Ima2 (46) | ✗ | 18 | 192 | 3 | 19.5071 | 0.004 | 1.000 | (0;000) | ✗ | 22/03/17 |
KYGeS4 | ICSD | 603205 | P2_1 (4) | ✗ | 14 | 96 | 1 | 2.3292 | 2.482 | 0.000 | (0;000) | ✗ | 22/03/17 |
Y3Ge5 | ICSD | 20612 | Fdd2 (43) | ✗ | 16 | 106 | 3 | 0.0 | 0.000 | 0.778 | ? | ✗ | 22/03/17 |
Mn12Ge5 | ICSD | 192814 | R32 (155) | ✗ | 17 | 200 | 3 | 33.0519 | 0.008 | 1.000 | (0;000) | ✗ | 22/03/17 |
NaGaO2 | ICSD | 36652 | Pna2_1 (33) | ✗ | 16 | 136 | 3 | 3.0736 | 3.074 | 0.000 | (0;000) | ✗ | 22/03/17 |
Sr2MnGaO5 | ICSD | 97598 | Ima2 (46) | ✗ | 18 | 156 | 3 | 0.0 | 0.002 | 0.753 | ? | ✗ | 22/03/17 |
HfGaPd | COD | 8102958 | P-62c (190) | ✗ | 18 | 258 | 3 | 0.0 | 0.000 | 0.436 | ? | ✗ | 22/03/17 |
Zn3Ga4Pd7 | COD | 1522962 | R3 (146) | ✗ | 14 | 214 | 3 | 0.0 | 0.000 | 0.719 | ? | ✗ | 22/03/17 |
IO2F | COD | 4320644 | P2_12_12_1 (19) | ✗ | 16 | 104 | 3 | 2.7801 | 2.903 | 0.000 | (0;000) | ✗ | 22/03/17 |
HgHOF | ICSD | 8267 | P2_12_12_1 (19) | ✗ | 16 | 104 | 3 | 1.1761 | 1.481 | 0.000 | (0;000) | ✗ | 22/03/17 |
FeS | ICSD | 87502 | P6_3mc (186) | ✗ | 16 | 112 | 3 | 0.0 | 0.002 | 0.580 | ? | ✗ | 22/03/17 |
NaFeO2 | ICSD | 33775 | P4_12_12 (92) | ✗ | 16 | 116 | 3 | 0.0 | 0.003 | 0.434 | ? | ✗ | 22/03/17 |
Ti2(FeGe)3 | ICSD | 53479 | Ima2 (46) | ✗ | 16 | 120 | 3 | 0.0 | 0.010 | 0.543 | ? | ✗ | 22/03/17 |
Fe2Re3 | ICSD | 108565 | P4_132 (213) | ✗ | 20 | 244 | 3 | 0.0 | 0.000 | 0.588 | ? | ✗ | 22/03/17 |
K2MnF6 | ICSD | 60417 | P6_3mc (186) | ✗ | 18 | 150 | 1 | 0.0 | 0.000 | 0.805 | ? | ✗ | 22/03/17 |
Rb2GeF6 | ICSD | 25662 | P6_3mc (186) | ✗ | 18 | 128 | 1 | 5.3917 | 5.392 | 0.000 | (0;000) | ✗ | 22/03/17 |
SeF4 | ICSD | 85451 | P2_12_12_1 (19) | ✗ | 20 | 136 | 1 | 4.7305 | 4.799 | 0.000 | (0;000) | ✗ | 22/03/17 |
KTeHOF4 | ICSD | 155199 | P2_1 (4) | ✗ | 16 | 100 | 1 | 4.8867 | 5.105 | 0.000 | (0;000) | ✗ | 22/03/17 |
KTeOF3 | ICSD | 201155 | P2_1 (4) | ✗ | 12 | 84 | 1 | 1.8951 | 2.024 | 0.000 | (0;000) | ✗ | 22/03/17 |
SeOF2 | COD | 4031233 | Pca2_1 (29) | ✗ | 16 | 104 | 1 | 4.1822 | 4.182 | 0.000 | (0;000) | ✗ | 22/03/17 |
GeF2 | COD | 1528938 | P2_12_12_1 (19) | ✗ | 12 | 72 | 1 | 4.0428 | 4.319 | 0.000 | (0;000) | ✗ | 22/03/17 |
KSb4F13 | ICSD | 4049 | I-4 (82) | ✗ | 18 | 120 | 2 | 4.6916 | 4.904 | 0.000 | (0;000) | ✗ | 22/03/17 |
CuI | ICSD | 30363 | P3m1 (156) | ✗ | 12 | 108 | 1 | 1.4688 | 1.469 | 0.000 | (0;000) | ✗ | 22/03/17 |
Si2Cu4NiS7 | ICSD | 100778 | C2 (5) | ✗ | 14 | 104 | 3 | 0.0 | 0.026 | 0.409 | ? | ✗ | 22/03/17 |
Cu3PS4 | ICSD | 656975 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.7252 | 0.725 | 0.000 | (0;000) | ✗ | 22/03/17 |