▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
H2C2O | COD | 7054718 | P2_1 (4) | ✗ | 20 | 64 | 1 | 3.8994 | 3.899 | 0.000 | (0;000) | ✗ | 21/03/17 |
V(CrC)2 | COD | 1530865 | Cmcm (63) | ✔ | 10 | 98 | 3 | 0.0 | 0.000 | 0.958 | (0;110) | ✗ | 21/03/17 |
CaBi2(CO4)2 | COD | 9004678 | Immm (71) | ✔ | 13 | 96 | 1 | 0.0 | 0.009 | 0.446 | (0;111) | ✗ | 21/03/17 |
BaCa(CO3)2 | COD | 1010917 | P2_1 (4) | ✗ | 20 | 128 | 2 | 2.6308 | 2.662 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ba4LiCu(CO5)2 | COD | 2002734 | I-42m (121) | ✗ | 18 | 122 | 2 | 1.1212 | 1.566 | 0.000 | (0;000) | ✗ | 21/03/17 |
NaBrO3 | COD | 1010058 | P2_13 (198) | ✗ | 20 | 136 | 1 | 0.9042 | 0.932 | 0.000 | (0;000) | ✗ | 21/03/17 |
IBrO | COD | 9009193 | Pmmn (59) | ✔ | 6 | 40 | 2 | 0.0 | 0.022 | 0.474 | (0;000) | ✗ | 21/03/17 |
SbBr3 | COD | 1527261 | P2_12_12_1 (19) | ✗ | 16 | 104 | 2 | 2.6249 | 2.908 | 0.000 | (0;000) | ✗ | 21/03/17 |
CsPbBr3 | COD | 1530681 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.401 | 0.401 | 0.000 | (1;111) | ✗ | 21/03/17 |
BiPd | COD | 9012856 | Cmc2_1 (36) | ✗ | 16 | 264 | 3 | 0.0 | 0.001 | 0.869 | ? | ✗ | 21/03/17 |
BiPd2Pb | COD | 9012389 | Cmc2_1 (36) | ✗ | 16 | 260 | 3 | 0.0 | 0.008 | 0.842 | ? | ✗ | 21/03/17 |
BiPO4 | COD | 9008088 | P3_121 (152) | ✗ | 18 | 132 | 3 | 3.0778 | 3.125 | 0.000 | (0;000) | ✗ | 21/03/17 |
ScBiO3 | COD | 4123993 | C2 (5) | ✗ | 20 | 176 | 3 | 2.1205 | 2.349 | 0.000 | (0;000) | ✗ | 21/03/17 |
Bi2O3 | COD | 9012328 | P-4b2 (117) | ✗ | 20 | 192 | 3 | 0.0 | 0.000 | 0.728 | ? | ✗ | 21/03/17 |
Ti4Bi2O11 | COD | 2101260 | C2/m (12) | ✔ | 17 | 144 | 3 | 2.0813 | 2.516 | 0.000 | (0;000) | ✗ | 21/03/17 |
GeBi2O5 | COD | 1526265 | Cmc2_1 (36) | ✗ | 16 | 128 | 3 | 2.4247 | 2.535 | 0.000 | (0;000) | ✗ | 21/03/17 |
Bi14Mo5 | COD | 2104407 | C2/m (12) | ✔ | 19 | 280 | 1 | 0.0 | 0.005 | 0.650 | (0;001) | ✗ | 21/03/17 |
BeF2 | COD | 4124120 | I-43m (217) | ✗ | 18 | 108 | 1 | 7.945 | 7.971 | 0.000 | (0;000) | ✗ | 21/03/17 |
BeCl2 | COD | 4124124 | I-43m (217) | ✗ | 18 | 108 | 1 | 0.0 | 0.000 | 0.583 | ? | ✗ | 21/03/17 |
Co3B | COD | 1511066 | Pnma (62) | ✔ | 16 | 216 | 3 | 0.0 | 0.018 | 0.208 | (1;000) | ✗ | 21/03/17 |
BaS3 | COD | 1010269 | P2_12_12 (18) | ✗ | 16 | 112 | 3 | 0.8913 | 0.979 | 0.000 | (0;000) | ✗ | 21/03/17 |
BaHgS2 | COD | 4342638 | Pmc2_1 (26) | ✗ | 16 | 136 | 2 | 1.2035 | 1.237 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ba(TlHg)2 | COD | 4104570 | P4_2/mnm (136) | ✔ | 20 | 240 | 3 | 0.0 | 0.002 | 0.730 | (1;000) | ✗ | 21/03/17 |
BaBiO3 | COD | 2101573 | Pba2 (32) | ✗ | 20 | 172 | 3 | 0.0 | 0.079 | 0.415 | ? | ✗ | 21/03/17 |
BaPd(IO3)4 | COD | 4316840 | P1 (1) | ✗ | 18 | 128 | 1 | 1.911 | 1.964 | 0.000 | (0;000) | ✗ | 21/03/17 |
CuI | COD | 9013921 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.01 | 0.010 | 0.000 | (1;000) | ✗ | 22/03/17 |
BaFeCuF7 | COD | 1000216 | Cc (9) | ✗ | 20 | 156 | 3 | 0.0 | 0.009 | 0.016 | (0;000) | ✔ | 21/03/17 |
ScB4Os3 | COD | 1511504 | Cmcm (63) | ✔ | 16 | 142 | 3 | 0.0 | 0.000 | 0.672 | (1;110) | ✗ | 21/03/17 |
ZnB3Ir4 | COD | 1510918 | Pmmm (47) | ✔ | 16 | 178 | 3 | 0.0 | 0.013 | 0.860 | (0;010) | ✗ | 21/03/17 |
Ba(BS2)2 | COD | 1510637 | Cc (9) | ✗ | 14 | 80 | 1 | 2.6688 | 2.785 | 0.000 | (0;000) | ✗ | 21/03/17 |
Cs3Ge4Au | COD | 1510108 | Pmmn (59) | ✔ | 16 | 108 | 3 | 0.8002 | 0.890 | 0.000 | (0;000) | ✗ | 21/03/17 |
Rb7Au5O2 | COD | 1510569 | Immm (71) | ✔ | 14 | 130 | 3 | 0.6181 | 0.687 | 0.000 | (0;000) | ✗ | 21/03/17 |
K3TlAu5 | COD | 4302644 | Imma (74) | ✔ | 18 | 190 | 3 | 0.0 | 0.000 | 0.760 | (1;011) | ✗ | 21/03/17 |
ZrAu4 | COD | 1510543 | Pnma (62) | ✔ | 20 | 192 | 3 | 0.0 | 0.015 | 0.229 | (0;000) | ✗ | 21/03/17 |
Ca5Au4 | COD | 1510534 | P2_1/c (14) | ✔ | 18 | 188 | 3 | 0.0 | 0.032 | 0.321 | (1;001) | ✗ | 21/03/17 |
Y3Sb4Au3 | COD | 2105392 | I-43d (220) | ✗ | 20 | 172 | 3 | 0.5301 | 0.673 | 0.000 | (0;000) | ✗ | 21/03/17 |
K(SnAu)3 | COD | 4304502 | Pmmn (59) | ✔ | 14 | 168 | 3 | 0.0 | 0.005 | 0.647 | (1;000) | ✗ | 21/03/17 |
Cs2Au2Se3 | COD | 4027824 | C2/c (15) | ✔ | 14 | 116 | 1 | 1.449 | 1.456 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ca5Au2 | COD | 1510371 | C2/c (15) | ✔ | 14 | 144 | 1 | 0.0 | 0.033 | 0.673 | (0;110) | ✗ | 21/03/17 |
KAs | COD | 8100816 | P2_12_12_1 (19) | ✗ | 16 | 112 | 1 | 0.7419 | 0.743 | 0.000 | (0;000) | ✗ | 21/03/17 |
GaAsO4 | COD | 1518032 | P3_121 (152) | ✗ | 18 | 126 | 3 | 3.387 | 3.502 | 0.000 | (0;000) | ✗ | 21/03/17 |
Sr3As4 | COD | 7221205 | Fdd2 (43) | ✗ | 14 | 100 | 1 | 0.5938 | 0.831 | 0.000 | (0;000) | ✗ | 21/03/17 |
CsAs4F13 | COD | 7012392 | I-4 (82) | ✗ | 18 | 120 | 1 | 5.3746 | 5.560 | 0.000 | (0;000) | ✗ | 21/03/17 |
NaCd4As3 | COD | 4326071 | R-3m (166) | ✔ | 8 | 72 | 2 | 0.0 | 0.060 | 0.092 | (0;111) | ✗ | 21/03/17 |
Sc3As2 | COD | 1528350 | Pnma (62) | ✔ | 20 | 172 | 3 | 0.0 | 0.000 | 0.912 | (1;011) | ✗ | 21/03/17 |
LiAl(SiO3)2 | COD | 9003102 | P1 (1) | ✗ | 20 | 100 | 3 | 4.6075 | 4.626 | 0.000 | (0;000) | ✗ | 16/03/17 |
CsAlF4 | COD | 7221224 | P-62m (189) | ✗ | 18 | 120 | 1 | 7.242 | 7.254 | 0.000 | (0;000) | ✗ | 16/03/17 |
AlAu4 | COD | 1523317 | P2_13 (198) | ✗ | 20 | 188 | 3 | 0.0 | 0.000 | 0.569 | ? | ✗ | 16/03/17 |
AlAsO4 | COD | 9008404 | P3_121 (152) | ✗ | 18 | 96 | 3 | 4.6284 | 4.678 | 0.000 | (0;000) | ✗ | 16/03/17 |
AgI | COD | 9011695 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.287 | 2.140 | 0.000 | (0;000) | ✗ | 16/03/17 |