▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NaAg(NO2)2 | ICSD | 200377 | Fdd2 (43) | ✗ | 16 | 108 | 1 | 2.1271 | 2.230 | 0.000 | (0;000) | ✗ | 16/03/17 |
NClO | ICSD | 411511 | Pnma (62) | ✔ | 12 | 72 | 1 | 2.1735 | 2.232 | 0.000 | (0;000) | ✗ | 04/08/17 |
KLiTe | ICSD | 67887 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 2.2329 | 2.233 | 0.000 | (0;000) | ✗ | 27/01/17 |
KSb(PS3)2 | COD | 8100520 | P2_1 (4) | ✗ | 20 | 120 | 2 | 2.212 | 2.233 | 0.000 | (0;000) | ✗ | 29/03/17 |
HgF | COD | 9008977 | I4/mmm (139) | ✔ | 4 | 38 | 3 | 1.3468 | 2.235 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsCdAuS2 | ICSD | 85581 | Cmme (67) | ✔ | 10 | 88 | 2 | 2.1236 | 2.236 | 0.000 | (0;000) | ✗ | 30/01/17 |
Li3N | ICSD | 156897 | P6_3/mmc (194) | ✔ | 8 | 28 | 1 | 1.298 | 2.236 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiCaGaN2 | ICSD | 415411 | P2_1/c (14) | ✔ | 20 | 144 | 1 | 2.2368 | 2.237 | 0.000 | (0;000) | ✗ | 02/02/17 |
CrPbO4 | COD | 9009515 | Pnma (62) | ✔ | 24 | 208 | 3 | 2.2197 | 2.237 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaInI4 | ICSD | 65463 | P2_1/c (14) | ✔ | 24 | 200 | 1 | 2.2385 | 2.239 | 0.000 | (0;000) | ✗ | 04/08/17 |
Mg(BeAs)2 | ICSD | 609872 | P-3m1 (164) | ✔ | 5 | 28 | 1 | 0.2659 | 2.239 | 0.000 | (0;000) | ✗ | 05/01/17 |
SrTiO3 | COD | 9006864 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 1.9101 | 2.241 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs4Au6S5 | COD | 1510578 | P31m (157) | ✗ | 15 | 132 | 2 | 2.2096 | 2.241 | 0.000 | (0;000) | ✗ | 21/03/17 |
RbCa2Nb3O10 | ICSD | 260289 | P4/mmm (123) | ✔ | 16 | 128 | 2 | 1.8878 | 2.242 | 0.000 | (0;000) | ✗ | 02/02/17 |
InBiO3 | COD | 4002372 | Pnma (62) | ✔ | 20 | 184 | 3 | 2.1564 | 2.242 | 0.000 | (0;000) | ✗ | 02/02/17 |
PBr5 | COD | 1528267 | Pbcm (57) | ✔ | 24 | 160 | 1 | 2.1153 | 2.243 | 0.000 | (0;000) | ✗ | 04/08/17 |
Rb2TiCl6 | COD | 1010193 | Fm-3m (225) | ✔ | 9 | 72 | 1 | 2.2001 | 2.243 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2O | COD | 9009055 | Fm-3m (225) | ✔ | 3 | 24 | 3 | 1.7816 | 2.244 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbAlCl8 | ICSD | 62029 | Cmcm (63) | ✔ | 20 | 144 | 1 | 2.1882 | 2.244 | 0.000 | (0;000) | ✗ | 30/01/17 |
K3V5O14 | COD | 4316136 | P31m (157) | ✗ | 22 | 176 | 1 | 2.1357 | 2.244 | 0.000 | (0;000) | ✗ | 04/08/17 |
CdInBr3 | ICSD | 79512 | Pnma (62) | ✔ | 20 | 184 | 2 | 2.0556 | 2.245 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaHgO2 | COD | 2002491 | P6_322 (182) | ✗ | 24 | 204 | 1 | 2.1697 | 2.247 | 0.000 | (0;000) | ✗ | 04/08/17 |
SrO2 | COD | 1100026 | I4/mmm (139) | ✔ | 3 | 22 | 1 | 2.2477 | 2.248 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScTa(PbO3)2 | ICSD | 77739 | Fm-3m (225) | ✔ | 10 | 88 | 3 | 2.2483 | 2.248 | 0.000 | (0;000) | ✗ | 27/01/17 |
Hg2MoO4 | ICSD | 90084 | C2/c (15) | ✔ | 14 | 124 | 3 | 1.8857 | 2.248 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2NbCuS4 | ICSD | 84304 | Fddd (70) | ✔ | 16 | 132 | 1 | 2.0266 | 2.249 | 0.000 | (0;000) | ✗ | 02/02/17 |
Bi2O3 | COD | 9012546 | P2_1/c (14) | ✔ | 20 | 192 | 3 | 2.2166 | 2.249 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li4RuH6 | ICSD | 638272 | R-3c (167) | ✔ | 22 | 68 | 1 | 2.2498 | 2.250 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ge3N4 | ICSD | 637157 | P6_3/m (176) | ✔ | 14 | 64 | 3 | 2.2501 | 2.250 | 0.000 | (0;000) | ✗ | 27/01/17 |
H4C3N2Cl | COD | 2005472 | C2/m (12) | ✔ | 20 | 66 | 1 | 2.2005 | 2.250 | 0.000 | (0;000) | ✗ | 02/02/17 |
S3N2O | COD | 7005890 | Cc (9) | ✗ | 12 | 68 | 1 | 2.1634 | 2.250 | 0.000 | (0;000) | ✗ | 29/03/17 |
CsBr3 | ICSD | 22130 | Pnma (62) | ✔ | 16 | 120 | 1 | 2.1955 | 2.251 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdPS3 | ICSD | 80875 | R3 (146) | ✗ | 10 | 70 | 0 | 1.8394 | 2.251 | 0.000 | (0;000) | ✗ | 06/10/16 |
AgNO2 | ICSD | 23891 | Imm2 (44) | ✗ | 4 | 28 | 3 | 1.7804 | 2.251 | 0.000 | (0;000) | ✗ | 06/10/16 |
K3Nb3(BO6)2 | COD | 1001007 | P31m (157) | ✗ | 20 | 144 | 3 | 2.121 | 2.252 | 0.000 | (0;000) | ✗ | 21/03/17 |
Hf(PS3)2 | ICSD | 47228 | Fdd2 (43) | ✗ | 18 | 116 | 3 | 2.1364 | 2.253 | 0.000 | (0;000) | ✗ | 29/03/17 |
KAuF4 | COD | 1510138 | I4/mcm (140) | ✔ | 12 | 96 | 1 | 2.2533 | 2.253 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2NbN3 | ICSD | 51028 | C2/c (15) | ✔ | 24 | 192 | 1 | 2.2167 | 2.254 | 0.000 | (0;000) | ✗ | 04/08/17 |
SBr | ICSD | 37020 | Cc2e (41) | ✗ | 8 | 52 | 1 | 2.0962 | 2.254 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaPSe3 | ICSD | 412765 | P2_1/c (14) | ✔ | 20 | 132 | 1 | 2.2546 | 2.255 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2LiAlP2 | ICSD | 77275 | Ibam (72) | ✔ | 12 | 68 | 1 | 1.9439 | 2.255 | 0.000 | (0;000) | ✗ | 30/01/17 |
SnICl | ICSD | 23262 | Pnma (62) | ✔ | 12 | 112 | 1 | 2.1913 | 2.256 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsV3O8 | ICSD | 50010 | P2_1/m (11) | ✔ | 24 | 192 | 1 | 2.1521 | 2.257 | 0.000 | (0;000) | ✗ | 04/08/17 |
K3TcC4(N2O)2 | ICSD | 260824 | P-1 (2) | ✔ | 14 | 90 | 1 | 2.2512 | 2.257 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3SbS4 | ICSD | 41895 | I-43m (217) | ✗ | 8 | 56 | 1 | 2.2119 | 2.258 | 0.000 | (0;000) | ✗ | 06/10/16 |
VBiPbO5 | ICSD | 419122 | C2/m (12) | ✔ | 16 | 144 | 3 | 1.9715 | 2.258 | 0.000 | (0;000) | ✗ | 02/02/17 |
GaSeBr7 | COD | 8101317 | Pc (7) | ✗ | 18 | 136 | 1 | 2.2271 | 2.259 | 0.000 | (0;000) | ✗ | 21/03/17 |
Bi2O3 | ICSD | 15072 | P2_1/c (14) | ✔ | 20 | 112 | 3 | 2.2283 | 2.259 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaC2 | COD | 1010500 | Pn-3m (224) | ✔ | 12 | 72 | 1 | 1.7564 | 2.259 | 0.000 | (0;000) | ✗ | 27/01/17 |
Bi2O3 | ICSD | 168811 | Fd-3m (227) | ✔ | 20 | 112 | 1 | 2.1934 | 2.260 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cd(GaS2)2 | ICSD | 619878 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.2573 | 2.260 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsK2PdF5 | ICSD | 72301 | P4/mbm (127) | ✔ | 18 | 160 | 2 | 2.2574 | 2.261 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2HgS2 | ICSD | 74500 | Pbcm (57) | ✔ | 20 | 168 | 1 | 2.2608 | 2.261 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrTeO4 | ICSD | 8098 | Pbcn (60) | ✔ | 24 | 160 | 1 | 2.2406 | 2.261 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaAu(IO3)4 | ICSD | 250786 | P1 (1) | ✗ | 18 | 120 | 1 | 2.2426 | 2.263 | 0.000 | (0;000) | ✗ | 21/03/17 |
Cd(GaS2)2 | ICSD | 52801 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.2641 | 2.264 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaTeO4 | ICSD | 8097 | Pbcn (60) | ✔ | 24 | 160 | 1 | 2.2643 | 2.264 | 0.000 | (0;000) | ✗ | 04/08/17 |
Rb2NbAgS4 | ICSD | 50463 | Fddd (70) | ✔ | 16 | 132 | 1 | 2.2234 | 2.266 | 0.000 | (0;000) | ✗ | 30/01/17 |
ZnPtF6 | ICSD | 37444 | R-3 (148) | ✔ | 8 | 64 | 3 | 2.2658 | 2.266 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZnMoO4 | COD | 2240887 | P2/c (13) | ✔ | 12 | 100 | 3 | 2.2669 | 2.267 | 0.000 | (0;000) | ✗ | 27/01/17 |
Y3GaS6 | ICSD | 635286 | Cmc2_1 (36) | ✗ | 20 | 164 | 3 | 2.0661 | 2.268 | 0.000 | (0;000) | ✗ | 22/03/17 |
Zn(GaS2)2 | ICSD | 635305 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.2683 | 2.268 | 0.000 | (0;000) | ✗ | 06/10/16 |
Nb2Cd2O7 | COD | 9009945 | Fd-3m (227) | ✔ | 22 | 184 | 3 | 1.8211 | 2.269 | 0.000 | (0;000) | ✗ | 07/08/17 |
SnBr2 | ICSD | 411177 | Pnma (62) | ✔ | 12 | 112 | 1 | 2.2341 | 2.269 | 0.000 | (0;000) | ✗ | 02/02/17 |
BrNO3 | ICSD | 407765 | P2_12_12_1 (19) | ✗ | 20 | 120 | 1 | 2.25 | 2.269 | 0.000 | (0;000) | ✗ | 21/03/17 |
BaNb2V2O11 | ICSD | 165097 | R-3m (166) | ✔ | 16 | 128 | 2 | 2.2681 | 2.270 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlBr2 | COD | 1527495 | Pnna (52) | ✔ | 24 | 216 | 1 | 2.2705 | 2.271 | 0.000 | (0;000) | ✗ | 04/08/17 |
Zn(GaS2)2 | ICSD | 635296 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.2727 | 2.273 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li8PtO6 | ICSD | 61218 | R-3 (148) | ✔ | 15 | 70 | 2 | 2.2729 | 2.273 | 0.000 | (0;000) | ✗ | 27/01/17 |
H2C5SN | COD | 7200215 | P-1 (2) | ✔ | 18 | 66 | 1 | 1.9486 | 2.273 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsNaSe | ICSD | 41322 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 2.1205 | 2.274 | 0.000 | (0;000) | ✗ | 02/02/17 |
PbBrF | COD | 9009175 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 2.2754 | 2.275 | 0.000 | (0;000) | ✗ | 27/01/17 |
K3TaO8 | ICSD | 30406 | I-42m (121) | ✗ | 12 | 88 | 1 | 2.2024 | 2.276 | 0.000 | (0;000) | ✗ | 07/10/16 |
Cd2Ru(CN)6 | ICSD | 417822 | P-3 (147) | ✔ | 15 | 94 | 3 | 2.2762 | 2.276 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiSe2 | ICSD | 24592 | Ibam (72) | ✔ | 6 | 32 | 1 | 2.1117 | 2.277 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbV3O8 | ICSD | 50009 | P2_1/m (11) | ✔ | 24 | 192 | 1 | 2.1383 | 2.277 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaPSe3 | ICSD | 412768 | P2_1/c (14) | ✔ | 20 | 132 | 1 | 2.2266 | 2.278 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cr(OF)2 | COD | 4339750 | P2_1/c (14) | ✔ | 20 | 160 | 2 | 2.262 | 2.278 | 0.000 | (0;000) | ✗ | 07/08/17 |
H4C3N4 | COD | 2012828 | P-1 (2) | ✔ | 22 | 72 | 1 | 2.1696 | 2.279 | 0.000 | (0;000) | ✗ | 04/08/17 |
KNa2BN2 | ICSD | 236557 | I4/mmm (139) | ✔ | 6 | 40 | 1 | 1.9048 | 2.280 | 0.000 | (0;000) | ✗ | 05/01/17 |
Li8TeN2 | ICSD | 247257 | I4_1md (109) | ✗ | 22 | 80 | 1 | 2.2789 | 2.280 | 0.000 | (0;000) | ✗ | 04/08/17 |
CaPdF6 | ICSD | 26164 | R-3 (148) | ✔ | 8 | 70 | 1 | 2.28 | 2.280 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2Mo(SO)2 | ICSD | 423986 | C2/c (15) | ✔ | 14 | 112 | 1 | 2.0758 | 2.280 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca(ClO2)2 | COD | 2207379 | Ccce (68) | ✔ | 14 | 96 | 1 | 2.1995 | 2.281 | 0.000 | (0;000) | ✗ | 02/02/17 |
PbC2(SN)2 | ICSD | 143 | C2/c (15) | ✔ | 14 | 88 | 1 | 2.2153 | 2.282 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zn(GaS2)2 | ICSD | 53604 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.2825 | 2.283 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbTl(SO4)2 | ICSD | 21087 | R32 (155) | ✗ | 12 | 82 | 2 | 2.2618 | 2.284 | 0.000 | (0;000) | ✗ | 15/02/17 |
S5N6 | COD | 1529768 | C2/c (15) | ✔ | 22 | 120 | 1 | 2.2357 | 2.285 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ru(CO)4 | ICSD | 72577 | Ibam (72) | ✔ | 18 | 112 | 1 | 2.2438 | 2.285 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaO | ICSD | 173921 | P6_3/mmc (194) | ✔ | 4 | 32 | 1 | 2.2677 | 2.285 | 0.000 | (0;000) | ✗ | 05/01/17 |
P4S5 | ICSD | 1995 | P2_1/m (11) | ✔ | 18 | 100 | 1 | 2.2857 | 2.286 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ga2I3 | ICSD | 24822 | P2_1/c (14) | ✔ | 20 | 188 | 1 | 2.2613 | 2.288 | 0.000 | (0;000) | ✗ | 02/02/17 |
Bi2O3 | ICSD | 172529 | Pbnb (56) | ✔ | 20 | 112 | 3 | 2.2888 | 2.289 | 0.000 | (0;000) | ✗ | 06/10/16 |
CdPtF6 | ICSD | 37445 | R-3 (148) | ✔ | 8 | 64 | 3 | 2.2851 | 2.289 | 0.000 | (0;000) | ✗ | 27/01/17 |
KAu(IO3)4 | ICSD | 417267 | P1 (1) | ✗ | 18 | 120 | 1 | 2.254 | 2.290 | 0.000 | (0;000) | ✗ | 21/03/17 |
Sr3(BS3)2 | COD | 1510829 | C2/c (15) | ✔ | 22 | 144 | 1 | 2.2685 | 2.290 | 0.000 | (0;000) | ✗ | 07/08/17 |
Sr2H6Ru | ICSD | 655142 | Fm-3m (225) | ✔ | 9 | 42 | 1 | 2.2212 | 2.291 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaHI | COD | 9009160 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 2.2911 | 2.291 | 0.000 | (0;000) | ✗ | 21/03/17 |
CsICl2 | COD | 2106471 | R-3m (166) | ✔ | 4 | 30 | 1 | 2.1106 | 2.293 | 0.000 | (0;000) | ✗ | 22/03/17 |
P2S3 | ICSD | 423037 | P2_1/m (11) | ✔ | 20 | 112 | 1 | 2.2148 | 2.293 | 0.000 | (0;000) | ✗ | 02/02/17 |