Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▴ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CsAg(NO3)2 | COD | 2008257 | C2/m (12) | ✔ | 20 | 132 | 1 | 2.7484 | 2.769 | 0.000 | (0;000) | ✗ | 16/03/17 |
| BaAg2SnS4 | ICSD | 41898 | I222 (23) | ✗ | 8 | 70 | 3 | 0.3815 | 1.163 | 0.000 | (0;000) | ✔ | 16/03/17 |
| Cs2AgAsS4 | ICSD | 55368 | P-1 (2) | ✔ | 16 | 116 | 1 | 1.6825 | 1.775 | 0.000 | (0;000) | ✗ | 16/03/17 |
| AgIO4 | COD | 1509390 | I4_1/a (88) | ✔ | 12 | 84 | 3 | 2.4042 | 2.526 | 0.000 | (0;000) | ✗ | 16/03/17 |
| YH3(CO2)3 | ICSD | 109739 | R3m (160) | ✗ | 13 | 62 | 3 | 4.1092 | 4.109 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ag3PS4 | COD | 1510028 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 1.1228 | 1.123 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Ca3(InAs2)2 | ICSD | 61336 | Pnnm (58) | ✔ | 18 | 152 | 1 | 0.2279 | 0.228 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Li2ZrTeO6 | COD | 1001503 | R3 (146) | ✗ | 10 | 52 | 3 | 1.7277 | 2.063 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BeSiN2 | ICSD | 25704 | Pna2_1 (33) | ✗ | 16 | 72 | 3 | 5.07 | 5.226 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BaCl2 | ICSD | 2190 | P-62m (189) | ✗ | 9 | 72 | 1 | 4.5187 | 4.519 | 0.000 | (0;000) | ✗ | 21/03/17 |
| LiZnPS4 | ICSD | 95785 | I-4 (82) | ✗ | 7 | 44 | 3 | 2.7265 | 3.156 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ag2HgO2 | COD | 7109248 | P4_32_12 (96) | ✗ | 20 | 184 | 3 | 0.581 | 0.581 | 0.000 | (0;000) | ✗ | 16/03/17 |
| CaHI | COD | 9009167 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 3.1277 | 3.128 | 0.000 | (0;000) | ✗ | 21/03/17 |
| H2C2O | COD | 7054718 | P2_1 (4) | ✗ | 20 | 64 | 1 | 3.8994 | 3.899 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Cd2AsCl2 | COD | 1001161 | P2_1/c (14) | ✔ | 20 | 172 | 3 | 1.2332 | 1.371 | 0.000 | (0;000) | ✗ | 21/03/17 |
| RbBH4 | COD | 4315654 | C222 (21) | ✗ | 6 | 16 | 1 | 5.3748 | 5.489 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ge4PbO9 | COD | 1530751 | C2 (5) | ✗ | 14 | 84 | 3 | 3.188 | 3.292 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SiO2 | COD | 9006298 | P1 (1) | ✗ | 12 | 64 | 3 | 5.4069 | 5.407 | 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 |
| AlHO2 | COD | 2211226 | Pmn2_1 (31) | ✗ | 8 | 32 | 3 | 5.4848 | 5.593 | 0.000 | (0;000) | ✗ | 15/02/17 |
| PIrSe | ICSD | 640901 | P2_13 (198) | ✗ | 12 | 112 | 3 | 1.6034 | 1.909 | 0.000 | (0;000) | ✗ | 15/02/17 |
| ZnGeN2 | COD | 1528213 | Pna2_1 (33) | ✗ | 16 | 104 | 3 | 1.8898 | 1.890 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaNiIO6 | ICSD | 23543 | P312 (149) | ✗ | 9 | 62 | 2 | 1.4416 | 1.533 | 0.000 | (0;000) | ✗ | 15/02/17 |
| RbAs | ICSD | 412594 | P2_12_12_1 (19) | ✗ | 16 | 112 | 1 | 0.67 | 0.670 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ag3P11 | COD | 4331410 | Cm (8) | ✗ | 14 | 88 | 1 | 0.7858 | 1.147 | 0.000 | (0;000) | ✗ | 16/03/17 |
| P2Pd3S8 | COD | 1527147 | P-3m1 (164) | ✔ | 13 | 112 | 3 | 1.0522 | 1.053 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P | COD | 9013110 | P-1 (2) | ✔ | 24 | 120 | 1 | 3.2513 | 3.259 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P2CS2(OF)2 | COD | 2001345 | P2 (3) | ✗ | 18 | 104 | 1 | 3.9644 | 4.085 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CsAu(IO3)4 | ICSD | 250789 | C2 (5) | ✗ | 18 | 120 | 3 | 2.3049 | 2.352 | 0.000 | (0;000) | ✗ | 21/03/17 |
| NaLiTe | ICSD | 67274 | Pnma (62) | ✔ | 12 | 72 | 1 | 1.9514 | 1.951 | 0.000 | (0;000) | ✗ | 02/02/17 |
| As2SO6 | COD | 9012888 | P2_12_12 (18) | ✗ | 18 | 104 | 2 | 4.374 | 4.378 | 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 |
| P | ICSD | 154318 | C2/m (12) | ✔ | 8 | 40 | 1 | 2.6998 | 3.134 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiAl(SiO3)2 | COD | 9003102 | P1 (1) | ✗ | 20 | 100 | 3 | 4.6075 | 4.626 | 0.000 | (0;000) | ✗ | 16/03/17 |
| SrSO4 | ICSD | 23744 | F-43m (216) | ✗ | 6 | 40 | 1 | 3.8609 | 3.867 | 0.000 | (0;000) | ✗ | 15/02/17 |
| K2LiBO3 | ICSD | 60949 | C2 (5) | ✗ | 14 | 84 | 1 | 3.8165 | 3.823 | 0.000 | (0;000) | ✗ | 15/02/17 |
| TaTlS3 | ICSD | 412385 | Pnma (62) | ✔ | 20 | 176 | 2 | 0.423 | 0.438 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaH4O3 | ICSD | 63017 | Pmc2_1 (26) | ✗ | 16 | 64 | 1 | 4.418 | 4.429 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaAl(PS3)2 | ICSD | 425980 | Fdd2 (43) | ✗ | 20 | 116 | 3 | 2.6585 | 2.694 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Li7SbO6 | COD | 7221349 | R3 (146) | ✗ | 14 | 62 | 1 | 3.0683 | 3.108 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiSiBO4 | ICSD | 67536 | I-4 (82) | ✗ | 7 | 34 | 1 | 0.715 | 0.715 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CaMg3(CO3)4 | COD | 1000052 | R32 (155) | ✗ | 20 | 128 | 3 | 4.9206 | 4.930 | 0.000 | (0;000) | ✗ | 21/03/17 |
| NaLiV2O6 | ICSD | 20836 | C2/c (15) | ✔ | 20 | 148 | 1 | 3.095 | 3.183 | 0.000 | (0;000) | ✗ | 02/02/17 |
| VSbRu | ICSD | 107124 | F-43m (216) | ✗ | 3 | 34 | 3 | 0.1798 | 0.946 | 0.000 | (0;000) | ✔ | 15/02/17 |
| Ag3AsSe3 | COD | 8103405 | R3c (161) | ✗ | 14 | 112 | 3 | 0.7517 | 1.200 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Ag3SeNO3 | ICSD | 108857 | R3c (161) | ✗ | 16 | 124 | 3 | 0.6914 | 0.728 | 0.000 | (0;000) | ✗ | 16/03/17 |
| KP(HO2)2 | ICSD | 186817 | C222_1 (20) | ✗ | 16 | 80 | 2 | 6.4968 | 6.643 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li2GePbS4 | ICSD | 281011 | I-42m (121) | ✗ | 8 | 48 | 2 | 1.4519 | 1.524 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Na3Mo(OF)3 | ICSD | 97452 | R3 (146) | ✗ | 10 | 80 | 1 | 3.9124 | 4.098 | 0.000 | (0;000) | ✗ | 15/02/17 |
| K2VAgSe4 | ICSD | 50461 | Fddd (70) | ✔ | 16 | 132 | 1 | 0.9678 | 1.066 | 0.000 | (0;000) | ✗ | 16/03/17 |
| K2MoSO3 | ICSD | 423989 | C2/m (12) | ✔ | 14 | 112 | 1 | 3.0263 | 3.049 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KH4O2F | ICSD | 165371 | Pmc2_1 (26) | ✗ | 16 | 64 | 1 | 5.3586 | 5.525 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BaCa(CO3)2 | COD | 1010917 | P2_1 (4) | ✗ | 20 | 128 | 2 | 2.6308 | 2.662 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Cr4AgBiO14 | ICSD | 14234 | I4 (79) | ✗ | 20 | 166 | 3 | 1.9671 | 1.972 | 0.000 | (0;000) | ✗ | 16/03/17 |
| AgHgSI | ICSD | 411772 | Pmma (51) | ✔ | 16 | 144 | 3 | 1.2963 | 1.357 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Cs2Ti(AgS2)2 | COD | 4319682 | P4_2/mcm (132) | ✔ | 18 | 152 | 2 | 1.5463 | 1.851 | 0.000 | (0;000) | ✗ | 16/03/17 |
| BaI2 | ICSD | 36210 | P-62m (189) | ✗ | 9 | 72 | 1 | 2.639 | 2.639 | 0.000 | (0;000) | ✗ | 21/03/17 |
| H4C3O2 | COD | 2003673 | P1 (1) | ✗ | 18 | 56 | 1 | 3.6547 | 3.754 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ca2VBiO6 | ICSD | 50939 | Cmc2_1 (36) | ✗ | 20 | 168 | 1 | 2.9417 | 2.965 | 0.000 | (0;000) | ✗ | 21/03/17 |
| As(CN)3 | COD | 2310572 | C2 (5) | ✗ | 14 | 64 | 1 | 4.5336 | 4.574 | 0.000 | (0;000) | ✗ | 21/03/17 |
| RbSrCO3F | ICSD | 262233 | P-6m2 (187) | ✗ | 7 | 48 | 1 | 4.2648 | 4.268 | 0.000 | (0;000) | ✗ | 15/02/17 |
| AlPO4 | COD | 9006415 | P6_222 (180) | ✗ | 18 | 96 | 3 | 5.9031 | 5.917 | 0.000 | (0;000) | ✗ | 16/03/17 |
| LiRe(OF2)2 | COD | 4321982 | P-42_1m (113) | ✗ | 16 | 116 | 1 | 3.3117 | 3.315 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ba(AgTe)2 | ICSD | 246048 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.5488 | 0.549 | 0.000 | (0;000) | ✗ | 16/03/17 |
| AlSeCl7 | ICSD | 9064 | P1 (1) | ✗ | 18 | 116 | 1 | 2.7884 | 2.790 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Ta2SnO7 | COD | 9000194 | C2/c (15) | ✔ | 20 | 164 | 3 | 0.5845 | 0.624 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TeI | COD | 1527659 | C2/m (12) | ✔ | 8 | 52 | 2 | 0.4248 | 0.727 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BiCl3 | ICSD | 2866 | Pna2_1 (33) | ✗ | 16 | 144 | 1 | 2.926 | 3.001 | 0.000 | (0;000) | ✗ | 21/03/17 |
| YAl3(BO3)4 | ICSD | 91962 | R32 (155) | ✗ | 20 | 104 | 3 | 5.4901 | 5.616 | 0.000 | (0;000) | ✗ | 15/02/17 |
| AsBr3 | COD | 1010147 | P2_12_12_1 (19) | ✗ | 16 | 104 | 1 | 2.8654 | 2.924 | 0.000 | (0;000) | ✗ | 21/03/17 |
| KNaZnO2 | ICSD | 38327 | P2_1/c (14) | ✔ | 20 | 168 | 3 | 1.8459 | 1.846 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Pb2SO5 | COD | 9011421 | C2/m (12) | ✔ | 16 | 128 | 3 | 2.9251 | 3.025 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba3In2O5F2 | ICSD | 80215 | I4/mmm (139) | ✔ | 12 | 100 | 2 | 1.7992 | 2.648 | 0.000 | (0;000) | ✗ | 21/03/17 |
| B5H9 | ICSD | 24636 | I4mm (107) | ✗ | 14 | 24 | 1 | 4.3882 | 4.531 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Rb2SiS3 | COD | 8100236 | C2/m (12) | ✔ | 12 | 80 | 1 | 2.8708 | 2.943 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZrPbS3 | ICSD | 2439 | Pnma (62) | ✔ | 20 | 144 | 3 | 0.958 | 0.958 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Hg3(TeCl)2 | ICSD | 27401 | I2_13 (199) | ✗ | 14 | 124 | 3 | 2.0054 | 2.047 | 0.000 | (0;000) | ✗ | 22/03/17 |
| SnF2 | COD | 1527293 | P2_12_12_1 (19) | ✗ | 12 | 112 | 3 | 2.9033 | 3.278 | 0.000 | (0;000) | ✗ | 22/03/17 |
| KCSeN | ICSD | 23951 | P2_1/c (14) | ✔ | 16 | 96 | 1 | 2.9858 | 2.986 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb7Au5O2 | COD | 1510569 | Immm (71) | ✔ | 14 | 130 | 3 | 0.6181 | 0.687 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CdI2 | ICSD | 108924 | P-3m1 (164) | ✔ | 15 | 130 | 1 | 1.9801 | 2.176 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CoH3(CN)6 | ICSD | 28502 | P-31m (162) | ✔ | 16 | 74 | 3 | 4.1114 | 4.130 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdPSe3 | ICSD | 620234 | R-3 (148) | ✔ | 10 | 70 | 2 | 1.1098 | 1.259 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr3(GaP2)2 | ICSD | 423782 | C2/c (15) | ✔ | 18 | 152 | 2 | 1.0762 | 1.174 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrLiBi | ICSD | 58800 | Pnma (62) | ✔ | 12 | 112 | 1 | 0.0791 | 0.079 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba(BrO3)2 | ICSD | 40287 | Fdd2 (43) | ✗ | 18 | 120 | 1 | 4.3085 | 4.319 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CsMoO2F3 | ICSD | 9710 | Imma (74) | ✔ | 14 | 112 | 1 | 3.4674 | 3.490 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2CdCl4 | COD | 2310671 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 3.4013 | 3.913 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2SnCl6 | COD | 2106487 | P4/mnc (128) | ✔ | 18 | 148 | 1 | 2.7117 | 2.712 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2Sn2Se5 | ICSD | 80766 | C2/c (15) | ✔ | 18 | 152 | 3 | 1.1176 | 1.242 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K5CuSb2 | ICSD | 32032 | R-3m (166) | ✔ | 8 | 66 | 1 | 0.7123 | 0.859 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaSO4 | ICSD | 62368 | F-43m (216) | ✗ | 6 | 40 | 1 | 4.4829 | 4.488 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiInMo3O8 | ICSD | 30579 | P3m1 (156) | ✗ | 13 | 106 | 3 | 1.0638 | 1.091 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Tl4V2O7 | ICSD | 72810 | P-3m1 (164) | ✔ | 13 | 120 | 2 | 2.3238 | 2.339 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cd(InSe2)2 | ICSD | 620049 | P-42m (111) | ✗ | 7 | 62 | 3 | 0.8336 | 0.834 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SiC | ICSD | 24630 | P6_3mc (186) | ✗ | 16 | 64 | 3 | 1.78 | 2.877 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CdPS3 | ICSD | 620232 | C2/m (12) | ✔ | 10 | 70 | 2 | 1.6575 | 1.969 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na2ZnS2 | ICSD | 33235 | Ibam (72) | ✔ | 10 | 84 | 1 | 2.4022 | 2.402 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Tl2S | ICSD | 27464 | P6_3/mmc (194) | ✔ | 6 | 64 | 1 | 0.5041 | 0.613 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr2Pb | COD | 1523314 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.0361 | 0.074 | 0.000 | (1;000) | ✗ | 02/02/17 |