Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ba3V2O8 | COD | 4305862 | R-3m (166) | ✔ | 13 | 104 | 1 | 3.6786 | 3.872 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Mg2H2O3 | COD | 1531167 | P-3m1 (164) | ✔ | 7 | 40 | 2 | 3.6787 | 3.679 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbNbO3 | COD | 1528862 | P-1 (2) | ✔ | 20 | 160 | 1 | 3.6791 | 3.683 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ScTl(MoO4)2 | ICSD | 250340 | P-3m1 (164) | ✔ | 12 | 100 | 2 | 3.6796 | 3.711 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Zn2P2O7 | ICSD | 24153 | C2/m (12) | ✔ | 11 | 76 | 3 | 3.6804 | 4.229 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Fe(CO)5 | COD | 2310564 | C2/c (15) | ✔ | 22 | 116 | 2 | 3.6826 | 3.720 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K2S2O5 | COD | 2310629 | P2_1/m (11) | ✔ | 18 | 120 | 1 | 3.6861 | 3.745 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaNbO3 | ICSD | 28152 | R3c (161) | ✗ | 10 | 80 | 3 | 3.6866 | 3.714 | 0.000 | (0;000) | ✗ | 06/10/16 |
| H6C3O | COD | 7110463 | Cmcm (63) | ✔ | 20 | 48 | 1 | 3.687 | 3.820 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BiF3 | COD | 1527437 | Pnma (62) | ✔ | 16 | 144 | 3 | 3.6893 | 3.690 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaZnSiH2O5 | ICSD | 200432 | Cc (9) | ✗ | 20 | 116 | 2 | 3.6898 | 3.739 | 0.000 | (0;000) | ✗ | 21/03/17 |
| KNa3WO5 | ICSD | 40249 | C2/m (12) | ✔ | 20 | 188 | 1 | 3.6902 | 3.723 | 0.000 | (0;000) | ✗ | 11/04/17 |
| Rb2CO3 | COD | 1527330 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 3.6921 | 3.692 | 0.000 | (0;000) | ✗ | 04/08/17 |
| RbGeCl3 | COD | 7221358 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 3.6922 | 3.704 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbTaO3 | COD | 1528059 | C2/m (12) | ✔ | 20 | 160 | 2 | 3.6926 | 3.756 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li6ZnO4 | ICSD | 62137 | P4_2/nmc (137) | ✔ | 22 | 108 | 3 | 3.6926 | 3.693 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaC | ICSD | 95835 | Immm (71) | ✔ | 4 | 26 | 1 | 3.6931 | 3.727 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KI | ICSD | 61661 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 3.6931 | 3.693 | 0.000 | (0;000) | ✗ | 30/01/17 |
| KI | ICSD | 61661 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 3.6931 | 3.693 | 0.000 | (0;000) | ✗ | 30/01/17 |
| LiIO3 | ICSD | 40360 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.695 | 3.770 | 0.000 | (0;000) | ✗ | 29/11/16 |
| LiIO3 | ICSD | 40364 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.7008 | 3.766 | 0.000 | (0;000) | ✗ | 29/11/16 |
| LiIO3 | ICSD | 40365 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.7008 | 3.766 | 0.000 | (0;000) | ✗ | 29/11/16 |
| RbNaTiO3 | ICSD | 78753 | C2/c (15) | ✔ | 12 | 96 | 1 | 3.7013 | 3.738 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HgC2(NO)2 | ICSD | 245329 | Cmce (64) | ✔ | 14 | 84 | 2 | 3.7029 | 3.807 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2Li3I5 | ICSD | 35655 | C2/m (12) | ✔ | 10 | 62 | 1 | 3.703 | 3.703 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cd(BH4)2 | ICSD | 262600 | P4_2nm (102) | ✗ | 22 | 52 | 3 | 3.7041 | 3.716 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Mg3H4O5 | COD | 1531171 | P-3m1 (164) | ✔ | 12 | 64 | 2 | 3.7053 | 3.705 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiIO3 | ICSD | 46026 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.706 | 3.793 | 0.000 | (0;000) | ✗ | 06/10/16 |
| P3N5 | ICSD | 56876 | C2/c (15) | ✔ | 16 | 80 | 3 | 3.7067 | 4.005 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Pb(ClO3)2 | ICSD | 40286 | Fdd2 (43) | ✗ | 18 | 128 | 3 | 3.7072 | 3.713 | 0.000 | (0;000) | ✗ | 22/03/17 |
| SnWO4 | ICSD | 2840 | P2_13 (198) | ✗ | 24 | 264 | 3 | 3.7074 | 3.710 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Mg2PN3 | ICSD | 50224 | Cmc2_1 (36) | ✗ | 12 | 80 | 3 | 3.7075 | 4.301 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K2ZrO3 | COD | 1527399 | Pnma (62) | ✔ | 24 | 160 | 1 | 3.7077 | 3.708 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ba2NbInO6 | ICSD | 99698 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 3.7079 | 3.781 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BiF3 | ICSD | 1269 | Pbnm (62) | ✔ | 16 | 104 | 3 | 3.7081 | 3.709 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TiTl2F6 | ICSD | 410802 | P-3m1 (164) | ✔ | 9 | 80 | 1 | 3.709 | 3.779 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbClO4 | COD | 5910290 | Pnma (62) | ✔ | 24 | 160 | 1 | 3.7097 | 3.729 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SrCN2 | ICSD | 75040 | Pnma (62) | ✔ | 16 | 96 | 1 | 3.7125 | 4.317 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr7(H6Br)2 | ICSD | 418949 | P-6 (174) | ✗ | 21 | 96 | 1 | 3.7126 | 3.878 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaBO2 | COD | 9015516 | R-3c (167) | ✔ | 24 | 144 | 1 | 3.7128 | 3.713 | 0.000 | (0;000) | ✗ | 04/08/17 |
| PC2N3Cl4 | ICSD | 81344 | Cmcm (63) | ✔ | 20 | 112 | 1 | 3.7138 | 3.728 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Mg3TeO6 | ICSD | 6309 | R-3 (148) | ✔ | 20 | 144 | 3 | 3.7139 | 3.936 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlBrO4 | ICSD | 65659 | Pnma (62) | ✔ | 24 | 176 | 1 | 3.7139 | 3.827 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaH | COD | 9008680 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 3.7143 | 4.558 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KNaTiO3 | ICSD | 47177 | C2/c (15) | ✔ | 12 | 96 | 1 | 3.7164 | 3.740 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2ZrO3 | ICSD | 67345 | Cmcm (63) | ✔ | 12 | 80 | 2 | 3.7167 | 3.717 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CNCl | ICSD | 86484 | C2/c (15) | ✔ | 18 | 96 | 1 | 3.7201 | 3.910 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaCO3 | ICSD | 158389 | R3m (160) | ✗ | 5 | 32 | 1 | 3.7206 | 3.786 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaCO3 | ICSD | 158390 | R3m (160) | ✗ | 5 | 32 | 1 | 3.7237 | 3.789 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cd(C2N3)2 | ICSD | 413334 | Pnnm (58) | ✔ | 22 | 116 | 3 | 3.7244 | 3.887 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Mg5H8O9 | COD | 1531175 | P-3m1 (164) | ✔ | 22 | 112 | 1 | 3.7257 | 3.726 | 0.000 | (0;000) | ✗ | 04/08/17 |
| GeO2 | ICSD | 16577 | P3_221 (154) | ✗ | 9 | 48 | 3 | 3.7257 | 3.809 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KScO2 | ICSD | 34958 | R-3m (166) | ✔ | 4 | 32 | 2 | 3.7269 | 4.188 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnCO3 | COD | 9000099 | R-3c (167) | ✔ | 10 | 68 | 3 | 3.7274 | 4.675 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsSnF3 | ICSD | 236903 | P2_1/c (14) | ✔ | 20 | 176 | 1 | 3.7279 | 3.733 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaIO3 | COD | 1530853 | Pnma (62) | ✔ | 20 | 136 | 1 | 3.7298 | 3.969 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiIO3 | ICSD | 40361 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.7323 | 3.808 | 0.000 | (0;000) | ✗ | 29/11/16 |
| MgH2 | ICSD | 168831 | P4_2/mnm (136) | ✔ | 6 | 24 | 1 | 3.7327 | 4.585 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2Ca3Ta2O9 | COD | 2009231 | R32 (155) | ✗ | 16 | 128 | 1 | 3.7327 | 3.759 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Na2SeO4 | COD | 2106359 | Fddd (70) | ✔ | 14 | 96 | 1 | 3.7333 | 3.772 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiCSN | ICSD | 425061 | Pnma (62) | ✔ | 16 | 72 | 1 | 3.7343 | 4.049 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na3SO4F | COD | 9000296 | R3m (160) | ✗ | 9 | 64 | 3 | 3.735 | 3.735 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiIO3 | ICSD | 46025 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.7353 | 3.809 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CsCo(CO)4 | ICSD | 31359 | I-4 (82) | ✗ | 10 | 66 | 2 | 3.736 | 3.877 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Y2O3 | ICSD | 192864 | P-3m1 (164) | ✔ | 5 | 40 | 3 | 3.7363 | 4.341 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Mg2SiO4 | COD | 9000275 | I4/mmm (139) | ✔ | 7 | 48 | 3 | 3.7368 | 4.199 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs3ZnBr5 | ICSD | 180053 | I4/mcm (140) | ✔ | 18 | 148 | 1 | 3.737 | 3.737 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbSbBrF3 | ICSD | 200109 | P-1 (2) | ✔ | 12 | 84 | 1 | 3.7376 | 3.872 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2HBrO | ICSD | 78734 | P2_1/m (11) | ✔ | 10 | 64 | 1 | 3.7379 | 3.738 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2TeO3 | ICSD | 65640 | P-3 (147) | ✔ | 12 | 84 | 1 | 3.7404 | 3.933 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KAl(MoO4)2 | ICSD | 28018 | P-3m1 (164) | ✔ | 12 | 88 | 2 | 3.7424 | 3.742 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Li2CN2 | COD | 4031435 | I4/mmm (139) | ✔ | 5 | 20 | 1 | 3.7439 | 3.744 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SCl2O | ICSD | 62971 | P2_1/c (14) | ✔ | 16 | 104 | 1 | 3.7451 | 3.758 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaZr(PO4)2 | ICSD | 173842 | P-3m1 (164) | ✔ | 12 | 72 | 2 | 3.7473 | 3.815 | 0.000 | (0;000) | ✗ | 05/01/17 |
| GeO2 | ICSD | 200730 | P3_121 (152) | ✗ | 9 | 48 | 3 | 3.7477 | 3.872 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlBN2 | ICSD | 187052 | P-4m2 (115) | ✗ | 4 | 16 | 3 | 3.7482 | 3.773 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgTiO3 | COD | 9010587 | R-3 (148) | ✔ | 10 | 80 | 3 | 3.7492 | 3.814 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiAsO3 | COD | 2310602 | C2/c (15) | ✔ | 20 | 104 | 1 | 3.7525 | 3.801 | 0.000 | (0;000) | ✗ | 30/01/17 |
| NaMgBO3 | COD | 4307923 | C2/c (15) | ✔ | 12 | 80 | 3 | 3.7545 | 3.755 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PHF2 | ICSD | 406360 | P2_12_12_1 (19) | ✗ | 16 | 80 | 1 | 3.7561 | 3.781 | 0.000 | (0;000) | ✗ | 22/03/17 |
| SeO2 | ICSD | 99465 | Pmc2_1 (26) | ✗ | 24 | 144 | 1 | 3.7562 | 3.959 | 0.000 | (0;000) | ✗ | 04/08/17 |
| RbCdCl3 | COD | 1530478 | Pnma (62) | ✔ | 20 | 168 | 1 | 3.7589 | 3.876 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsI | COD | 9008790 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 3.7608 | 3.761 | 0.000 | (0;000) | ✗ | 22/03/17 |
| SrMoO4 | COD | 4001306 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 3.7616 | 3.762 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K4V2O7 | ICSD | 250388 | C2/m (12) | ✔ | 13 | 104 | 1 | 3.7624 | 3.802 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZnPt(CN)4 | ICSD | 169758 | P4_2/mcm (132) | ✔ | 20 | 116 | 3 | 3.7624 | 3.764 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P2O3 | ICSD | 62026 | P2_1/m (11) | ✔ | 20 | 112 | 1 | 3.7642 | 3.787 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbAlO2 | ICSD | 28373 | Fd-3m (227) | ✔ | 8 | 48 | 3 | 3.7643 | 3.769 | 0.000 | (0;000) | ✗ | 05/01/17 |
| ZnSiO3 | COD | 9006919 | C2/c (15) | ✔ | 20 | 136 | 3 | 3.765 | 3.845 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiBC2(O2F)2 | ICSD | 185384 | Cmcm (63) | ✔ | 20 | 104 | 1 | 3.7651 | 3.918 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiNbO3 | COD | 9016248 | R-3 (148) | ✔ | 10 | 68 | 1 | 3.7653 | 3.863 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr2ScSbO6 | ICSD | 262994 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 3.7678 | 3.771 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AlTl2F5 | COD | 1010159 | Cmcm (63) | ✔ | 16 | 128 | 1 | 3.7681 | 3.802 | 0.000 | (0;000) | ✗ | 30/01/17 |
| NaScO2 | ICSD | 25729 | R-3m (166) | ✔ | 4 | 32 | 2 | 3.7686 | 4.439 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Si5(H2Cl)4 | COD | 4329335 | I-4 (82) | ✗ | 17 | 56 | 2 | 3.7699 | 3.770 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Ba(IO3)2 | ICSD | 23276 | C2/c (15) | ✔ | 18 | 120 | 1 | 3.775 | 3.843 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SnSO4 | COD | 9008091 | Pnma (62) | ✔ | 24 | 176 | 3 | 3.7757 | 4.002 | 0.000 | (0;000) | ✗ | 04/08/17 |
| IOF3 | ICSD | 4076 | P2_12_12_1 (19) | ✗ | 20 | 136 | 1 | 3.7853 | 3.792 | 0.000 | (0;000) | ✗ | 22/03/17 |
| GaB3N4 | ICSD | 187050 | P-43m (215) | ✗ | 8 | 42 | 3 | 3.7874 | 3.787 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaMg(SiO3)2 | COD | 9000506 | C2/c (15) | ✔ | 20 | 128 | 3 | 3.7875 | 3.788 | 0.000 | (0;000) | ✗ | 02/02/17 |