Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CsCdCl3 | COD | 1010123 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 1.8314 | 2.333 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Tl3VS4 | ICSD | 200270 | I-43m (217) | ✗ | 8 | 76 | 3 | 1.8328 | 1.833 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlSbI6 | ICSD | 38253 | C2/m (12) | ✔ | 16 | 100 | 2 | 1.8332 | 1.897 | 0.000 | (0;000) | ✗ | 30/01/17 |
| NbTl3S4 | ICSD | 600246 | I-43m (217) | ✗ | 8 | 76 | 3 | 1.8349 | 1.969 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Sr2NCl | COD | 1528370 | R-3m (166) | ✔ | 4 | 32 | 1 | 1.8349 | 1.835 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ScIO | ICSD | 419335 | C2/m (12) | ✔ | 12 | 96 | 2 | 1.8352 | 1.925 | 0.000 | (0;000) | ✗ | 02/02/17 |
| GePbS3 | ICSD | 2090 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 1.8361 | 1.931 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2HgI4 | COD | 1526210 | P2_1 (4) | ✗ | 14 | 116 | 1 | 1.8375 | 1.838 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Na2H4Pt | ICSD | 638356 | I4/mmm (139) | ✔ | 7 | 32 | 1 | 1.838 | 1.845 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsSnS3 | ICSD | 73008 | P-1 (2) | ✔ | 10 | 82 | 1 | 1.838 | 1.955 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2Te | ICSD | 55158 | P6_3/mmc (194) | ✔ | 6 | 48 | 2 | 1.8381 | 1.838 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cd2Os(CN)6 | ICSD | 417821 | P-3 (147) | ✔ | 15 | 94 | 3 | 1.8382 | 1.838 | 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 |
| HgI2 | ICSD | 22242 | Ccm2_1 (36) | ✗ | 6 | 52 | 2 | 1.8395 | 1.994 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CSe2 | ICSD | 60374 | Cmce (64) | ✔ | 6 | 32 | 1 | 1.8396 | 2.057 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsNbN2 | ICSD | 72546 | Fd-3m (227) | ✔ | 8 | 64 | 3 | 1.8404 | 1.853 | 0.000 | (0;000) | ✗ | 27/01/17 |
| S(IO3)2 | ICSD | 6220 | C2/c (15) | ✔ | 18 | 112 | 2 | 1.8407 | 1.938 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlCdI3 | ICSD | 8009 | Pnma (62) | ✔ | 20 | 184 | 2 | 1.8407 | 1.934 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaPb2IO6 | ICSD | 428081 | P2_1/c (14) | ✔ | 20 | 160 | 3 | 1.8412 | 1.841 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbAuS | COD | 1510281 | Cmcm (63) | ✔ | 6 | 52 | 1 | 1.8414 | 2.060 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Cs2PtCl4 | COD | 9009288 | Cmcm (63) | ✔ | 14 | 112 | 1 | 1.8445 | 1.845 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsSbS2 | COD | 1530125 | P2_1/c (14) | ✔ | 16 | 104 | 1 | 1.8455 | 2.003 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KNaZnO2 | ICSD | 38327 | P2_1/c (14) | ✔ | 20 | 168 | 3 | 1.8459 | 1.846 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2O2 | COD | 9008991 | Immm (71) | ✔ | 4 | 30 | 3 | 1.8466 | 1.901 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb2CuBr3 | ICSD | 150295 | Pnma (62) | ✔ | 24 | 200 | 1 | 1.8467 | 1.847 | 0.000 | (0;000) | ✗ | 04/08/17 |
| HgCN2 | ICSD | 412278 | P2_1/c (14) | ✔ | 16 | 104 | 3 | 1.849 | 1.890 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ScAgO2 | ICSD | 422442 | R-3m (166) | ✔ | 4 | 34 | 3 | 1.8493 | 2.738 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Na4Ge2Se5 | ICSD | 61401 | P-1 (2) | ✔ | 22 | 148 | 1 | 1.8507 | 1.960 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K2NiF6 | ICSD | 41416 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 1.8508 | 1.851 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb2B2Se7 | COD | 1510813 | C2/c (15) | ✔ | 22 | 132 | 2 | 1.852 | 1.932 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SeS2(NO)2 | ICSD | 69978 | C2/c (15) | ✔ | 14 | 80 | 1 | 1.8532 | 1.897 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SbCl5 | ICSD | 412111 | P6_3/mmc (194) | ✔ | 12 | 80 | 1 | 1.8539 | 1.854 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PbO | COD | 2310433 | Pbcm (57) | ✔ | 8 | 80 | 2 | 1.8544 | 2.040 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PbO | ICSD | 15402 | Pmab (57) | ✔ | 8 | 80 | 2 | 1.8544 | 2.040 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaTiO3 | COD | 5910149 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 1.8554 | 1.915 | 0.000 | (0;000) | ✗ | 05/01/17 |
| ScF3 | COD | 1010451 | R32 (155) | ✗ | 4 | 32 | 3 | 1.8554 | 1.935 | 0.000 | (0;000) | ✗ | 15/02/17 |
| HfBrN | ICSD | 190383 | R-3m (166) | ✔ | 6 | 48 | 2 | 1.8563 | 2.445 | 0.000 | (0;000) | ✗ | 27/01/17 |
| C3S7O | ICSD | 165374 | P-1 (2) | ✔ | 22 | 120 | 1 | 1.8563 | 2.224 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K2ZnTe2 | ICSD | 420088 | Ibam (72) | ✔ | 10 | 84 | 1 | 1.8566 | 1.935 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SbS2NCl6 | ICSD | 2441 | Immm (71) | ✔ | 10 | 64 | 1 | 1.8567 | 1.857 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaH2N | ICSD | 34290 | Fddd (70) | ✔ | 16 | 64 | 1 | 1.8569 | 1.857 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na3TlO2 | COD | 1530970 | Pnma (62) | ✔ | 24 | 208 | 1 | 1.8583 | 2.207 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cs2GeCl6 | COD | 1010389 | Fm-3m (225) | ✔ | 9 | 64 | 1 | 1.8603 | 1.860 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr2IN | COD | 2215222 | R-3m (166) | ✔ | 4 | 32 | 1 | 1.861 | 1.861 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Na3BP2 | COD | 8103467 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 1.861 | 2.075 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cs2NbAgSe4 | ICSD | 50464 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.8633 | 2.014 | 0.000 | (0;000) | ✗ | 16/03/17 |
| CsCu2Cl3 | COD | 2310349 | Cmcm (63) | ✔ | 12 | 104 | 1 | 1.8641 | 1.864 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TaCu3S4 | ICSD | 183995 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.8642 | 2.305 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TaTl3S4 | ICSD | 651107 | I-43m (217) | ✗ | 8 | 76 | 1 | 1.8644 | 2.054 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ga2HgS4 | ICSD | 189740 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.8647 | 1.865 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Pt(SCl4)2 | ICSD | 66012 | P2_1/c (14) | ✔ | 22 | 156 | 1 | 1.8649 | 1.874 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Rb2TeBr6 | ICSD | 49522 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 1.8651 | 2.124 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsPbI3 | COD | 4335639 | Pnma (62) | ✔ | 20 | 176 | 2 | 1.8656 | 1.893 | 0.000 | (0;000) | ✗ | 22/03/17 |
| NaNO2 | ICSD | 31824 | Imm2 (44) | ✗ | 4 | 26 | 1 | 1.8658 | 2.031 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CdGe2O5 | ICSD | 23039 | P-1 (2) | ✔ | 16 | 100 | 3 | 1.8665 | 2.017 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbSbS2 | COD | 1530127 | P1 (1) | ✗ | 16 | 104 | 1 | 1.8665 | 1.867 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Cs3BP2 | COD | 8103455 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.8676 | 1.908 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TaTl3S4 | ICSD | 600247 | I-43m (217) | ✗ | 8 | 76 | 1 | 1.8678 | 2.058 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K4CO4 | ICSD | 245427 | R3 (146) | ✗ | 9 | 64 | 3 | 1.8687 | 2.055 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TaTl3S4 | ICSD | 16571 | I-43m (217) | ✗ | 8 | 76 | 1 | 1.8689 | 2.059 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba2Bi2O5 | ICSD | 69864 | P2_1/c (14) | ✔ | 18 | 160 | 2 | 1.8699 | 2.004 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RuS3Cl8 | ICSD | 410112 | P-1 (2) | ✔ | 24 | 180 | 2 | 1.8706 | 1.957 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ni(NF7)2 | ICSD | 26397 | I4/m (87) | ✔ | 17 | 118 | 1 | 1.8711 | 1.877 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CuPN2 | ICSD | 194793 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.872 | 2.098 | 0.000 | (0;000) | ✗ | 07/10/16 |
| K2PbO2 | ICSD | 2266 | P-1 (2) | ✔ | 20 | 176 | 1 | 1.8725 | 1.873 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Zn3CdS4 | ICSD | 169185 | P-43m (215) | ✗ | 8 | 72 | 3 | 1.8744 | 1.874 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Br | COD | 1010096 | Cmce (64) | ✔ | 4 | 28 | 1 | 1.8751 | 1.877 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba4PtO6 | ICSD | 65706 | R-3c (167) | ✔ | 22 | 172 | 1 | 1.8753 | 1.933 | 0.000 | (0;000) | ✗ | 07/08/17 |
| Cs2Te | ICSD | 36501 | Pnma (62) | ✔ | 12 | 96 | 1 | 1.8757 | 1.876 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2NaRhF6 | ICSD | 27342 | Fm-3m (225) | ✔ | 10 | 86 | 1 | 1.876 | 1.876 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsSnI3 | COD | 4117956 | Pnma (62) | ✔ | 20 | 176 | 2 | 1.8777 | 1.938 | 0.000 | (0;000) | ✗ | 22/03/17 |
| BaO | COD | 1011362 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 1.8783 | 1.878 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Na5InO4 | ICSD | 69630 | Pmmn (59) | ✔ | 20 | 164 | 1 | 1.8792 | 1.879 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P3BrCl14 | ICSD | 80214 | I4 (79) | ✗ | 18 | 120 | 1 | 1.8798 | 1.958 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Cs2TeBr6 | ICSD | 65058 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 1.8801 | 2.124 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaSe | COD | 9008607 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 1.8801 | 2.837 | 0.000 | (0;000) | ✗ | 27/01/17 |
| GaBiO3 | COD | 4002370 | Pcca (54) | ✔ | 20 | 184 | 3 | 1.8816 | 1.936 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba4Na(SbO4)3 | COD | 2001366 | Im-3m (229) | ✔ | 20 | 136 | 3 | 1.8829 | 1.962 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Hg2TeBr3 | ICSD | 417407 | P2_1/c (14) | ✔ | 24 | 204 | 3 | 1.8832 | 1.912 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cs2Hg3S4 | COD | 4002165 | Ibam (72) | ✔ | 18 | 156 | 2 | 1.8841 | 1.884 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Hg2MoO4 | ICSD | 90084 | C2/c (15) | ✔ | 14 | 124 | 3 | 1.8857 | 2.248 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AlP | ICSD | 190421 | P6_3mc (186) | ✗ | 4 | 16 | 3 | 1.8868 | 2.426 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbCu2I3 | ICSD | 65250 | Cmcm (63) | ✔ | 12 | 104 | 1 | 1.8872 | 1.887 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbCa2Nb3O10 | ICSD | 260289 | P4/mmm (123) | ✔ | 16 | 128 | 2 | 1.8878 | 2.242 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ag2W2O7 | COD | 4027815 | P-1 (2) | ✔ | 22 | 240 | 3 | 1.888 | 1.951 | 0.000 | (0;000) | ✗ | 08/08/17 |
| HgBr | COD | 9014145 | I4/mmm (139) | ✔ | 4 | 38 | 3 | 1.8884 | 2.563 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ga2S3 | COD | 8101056 | Cc (9) | ✗ | 10 | 88 | 3 | 1.8887 | 1.889 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Ga2O3 | COD | 1010583 | R-3c (167) | ✔ | 10 | 88 | 3 | 1.8896 | 1.890 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnGeN2 | COD | 1528213 | Pna2_1 (33) | ✗ | 16 | 104 | 3 | 1.8898 | 1.890 | 0.000 | (0;000) | ✗ | 15/02/17 |
| TiO2 | COD | 1511015 | P4_2/mnm (136) | ✔ | 6 | 48 | 3 | 1.8907 | 1.891 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb2NaRhF6 | ICSD | 27341 | Fm-3m (225) | ✔ | 10 | 86 | 1 | 1.8935 | 1.894 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsAuCl4 | ICSD | 423233 | C2/c (15) | ✔ | 12 | 96 | 1 | 1.8939 | 1.944 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CdI2 | COD | 8103505 | P-3m1 (164) | ✔ | 24 | 208 | 1 | 1.8942 | 2.124 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SbSCl9 | ICSD | 72391 | C2/m (12) | ✔ | 22 | 148 | 1 | 1.8944 | 1.931 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Sr2BrN | COD | 1528372 | R-3m (166) | ✔ | 4 | 32 | 1 | 1.8948 | 1.895 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BrCl | ICSD | 424850 | Cmc2_1 (36) | ✗ | 4 | 28 | 1 | 1.895 | 1.911 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KTeOF3 | ICSD | 201155 | P2_1 (4) | ✗ | 12 | 84 | 1 | 1.8951 | 2.024 | 0.000 | (0;000) | ✗ | 22/03/17 |
| PI3 | ICSD | 311 | P2_1 (4) | ✗ | 8 | 52 | 1 | 1.8955 | 1.899 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KICl4 | COD | 1010442 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 1.8961 | 1.910 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CdI2 | ICSD | 9194 | P3m1 (156) | ✗ | 24 | 208 | 1 | 1.8969 | 2.099 | 0.000 | (0;000) | ✗ | 04/08/17 |