Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sr(C2N3)2 | ICSD | 411363 | C2/c (15) | ✔ | 22 | 112 | 1 | 4.6628 | 4.672 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Li4TiO4 | ICSD | 75164 | Cmcm (63) | ✔ | 18 | 96 | 1 | 4.6086 | 4.673 | 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 |
| KTe2F9 | ICSD | 84364 | P-1 (2) | ✔ | 24 | 168 | 1 | 4.6391 | 4.676 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SbAsF8 | COD | 1533113 | P2_1/m (11) | ✔ | 20 | 132 | 1 | 4.5459 | 4.676 | 0.000 | (0;000) | ✗ | 30/01/17 |
| AlAsO4 | COD | 9008404 | P3_121 (152) | ✗ | 18 | 96 | 3 | 4.6284 | 4.678 | 0.000 | (0;000) | ✗ | 16/03/17 |
| AsPbF7 | ICSD | 411788 | P-1 (2) | ✔ | 18 | 136 | 2 | 4.6514 | 4.679 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Li2H2SeO5 | ICSD | 413060 | P2_1 (4) | ✗ | 20 | 88 | 1 | 4.6429 | 4.680 | 0.000 | (0;000) | ✗ | 28/03/17 |
| BaZnCl4 | ICSD | 411952 | Pbcn (60) | ✔ | 24 | 200 | 1 | 4.6825 | 4.683 | 0.000 | (0;000) | ✗ | 04/08/17 |
| H2SeO3 | ICSD | 427359 | P1 (1) | ✗ | 12 | 52 | 1 | 4.457 | 4.683 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CsC2N3 | ICSD | 249791 | C2/c (15) | ✔ | 24 | 128 | 1 | 4.6862 | 4.686 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CaCO3 | COD | 9016547 | Pnma (62) | ✔ | 20 | 128 | 1 | 4.3434 | 4.687 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MgCN2 | ICSD | 75039 | R-3m (166) | ✔ | 4 | 24 | 3 | 3.6366 | 4.688 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr3(BO3)2 | COD | 1100067 | R-3c (167) | ✔ | 22 | 144 | 1 | 4.6712 | 4.688 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaZnF4 | ICSD | 182609 | Ccm2_1 (36) | ✗ | 12 | 100 | 2 | 4.6699 | 4.690 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Al2O3 | ICSD | 82504 | C2/m (12) | ✔ | 10 | 48 | 3 | 4.5944 | 4.693 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaZnCl4 | ICSD | 410194 | Pnna (52) | ✔ | 24 | 200 | 1 | 4.6929 | 4.693 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SiO2 | COD | 4124069 | Pnnn (48) | ✔ | 24 | 128 | 3 | 4.3183 | 4.694 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaB3H8 | ICSD | 260964 | Pmmn (59) | ✔ | 24 | 52 | 1 | 4.6954 | 4.695 | 0.000 | (0;000) | ✗ | 04/08/17 |
| ScOF | ICSD | 100564 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 4.571 | 4.696 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiBiF6 | COD | 1527496 | R-3 (148) | ✔ | 8 | 60 | 1 | 4.6256 | 4.696 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SiO2 | COD | 4124066 | I4_122 (98) | ✗ | 24 | 128 | 3 | 4.6966 | 4.697 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Al2O3 | COD | 1200005 | C2/m (12) | ✔ | 10 | 48 | 3 | 4.5991 | 4.699 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaBrF | COD | 9011174 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 4.6989 | 4.699 | 0.000 | (0;000) | ✗ | 05/01/17 |
| NaGa(SiO3)2 | COD | 2004306 | C2/c (15) | ✔ | 20 | 132 | 3 | 4.6082 | 4.699 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaHf(PO4)2 | ICSD | 245690 | C2/m (12) | ✔ | 12 | 80 | 2 | 4.6342 | 4.701 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BePbF4 | COD | 5910280 | Pnma (62) | ✔ | 24 | 184 | 3 | 4.5631 | 4.701 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SiO2 | COD | 9006304 | P1 (1) | ✗ | 12 | 64 | 3 | 4.624 | 4.702 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H10C7O5 | COD | 7218172 | P1 (1) | ✗ | 22 | 68 | 1 | 4.6528 | 4.703 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Li2H2SeO5 | COD | 2201760 | P2_1 (4) | ✗ | 20 | 88 | 1 | 4.7043 | 4.704 | 0.000 | (0;000) | ✗ | 28/03/17 |
| KHSeO3 | ICSD | 20862 | P-1 (2) | ✔ | 12 | 68 | 1 | 4.525 | 4.707 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaGe(PO4)2 | ICSD | 423040 | C2/m (12) | ✔ | 12 | 72 | 2 | 4.6127 | 4.708 | 0.000 | (0;000) | ✗ | 05/01/17 |
| KAlSiO4 | COD | 9001818 | P31c (159) | ✗ | 14 | 80 | 3 | 4.7088 | 4.709 | 0.000 | (0;000) | ✗ | 16/03/17 |
| KNaNbOF5 | ICSD | 423274 | P4/nmm (129) | ✔ | 18 | 144 | 1 | 4.7016 | 4.709 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KClO3 | ICSD | 188311 | R3m (160) | ✗ | 5 | 34 | 1 | 4.7094 | 4.710 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaZnF4 | ICSD | 182605 | Ccm2_1 (36) | ✗ | 12 | 100 | 2 | 4.7095 | 4.712 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaZnF4 | ICSD | 402925 | Ccm2_1 (36) | ✗ | 12 | 100 | 2 | 4.6827 | 4.712 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaAlCl4 | COD | 1004043 | P2_12_12_1 (19) | ✗ | 24 | 160 | 1 | 4.7141 | 4.714 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SrGe(HO2)2 | ICSD | 30320 | I-42d (122) | ✗ | 16 | 80 | 3 | 4.6209 | 4.716 | 0.000 | (0;000) | ✗ | 15/02/17 |
| RbSO2F | ICSD | 89603 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 4.7165 | 4.722 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaGa(SiO3)2 | COD | 9010189 | C2/c (15) | ✔ | 20 | 132 | 3 | 4.6378 | 4.734 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaZnF4 | ICSD | 182606 | Ccm2_1 (36) | ✗ | 12 | 100 | 2 | 4.704 | 4.735 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba3(AsO4)2 | COD | 9016707 | R-3m (166) | ✔ | 13 | 88 | 1 | 4.531 | 4.737 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CsH3O2 | COD | 2012559 | I4_1/amd (141) | ✔ | 12 | 48 | 3 | 4.5945 | 4.737 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CsReO4 | ICSD | 74505 | Pnma (62) | ✔ | 24 | 192 | 1 | 4.7175 | 4.738 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Sr2C(NCl)2 | ICSD | 391257 | C2/m (12) | ✔ | 7 | 48 | 1 | 4.3237 | 4.743 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaZnF4 | ICSD | 402926 | Ccm2_1 (36) | ✗ | 12 | 100 | 2 | 4.7142 | 4.744 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Zn | COD | 4030923 | P-1 (2) | ✔ | 1 | 12 | 1 | 4.7443 | 4.746 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H2CO2 | ICSD | 151248 | Pna2_1 (33) | ✗ | 20 | 72 | 1 | 4.7471 | 4.747 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SbF3 | ICSD | 16142 | Cc2m (40) | ✗ | 8 | 52 | 3 | 4.4474 | 4.748 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaN3 | COD | 1010392 | R-3m (166) | ✔ | 4 | 24 | 1 | 4.3404 | 4.749 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaCO3 | COD | 9006847 | P6_3/mmc (194) | ✔ | 10 | 64 | 1 | 4.3243 | 4.751 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiAlO2 | COD | 1008166 | P4_12_12 (92) | ✗ | 16 | 72 | 3 | 4.7545 | 4.755 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Na2MgH4(SO4)2 | ICSD | 35767 | P-1 (2) | ✔ | 17 | 92 | 1 | 4.7551 | 4.758 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiBr | COD | 9008664 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 4.7584 | 4.758 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li2CaGeO4 | ICSD | 19024 | I-42m (121) | ✗ | 8 | 44 | 1 | 4.5502 | 4.765 | 0.000 | (0;000) | ✗ | 15/02/17 |
| YCl3 | COD | 1528118 | C2/m (12) | ✔ | 8 | 64 | 2 | 4.6408 | 4.771 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb3Na(MoO4)2 | ICSD | 191958 | P-3m1 (164) | ✔ | 14 | 112 | 1 | 4.7708 | 4.771 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H2O2 | COD | 9014214 | P4_12_12 (92) | ✗ | 16 | 56 | 1 | 4.7599 | 4.772 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CsLiH4SO5 | ICSD | 200780 | Cm (8) | ✗ | 12 | 52 | 1 | 4.4294 | 4.773 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaCl | COD | 9006385 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 4.7748 | 4.775 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiPN2 | ICSD | 32713 | I-42d (122) | ✗ | 8 | 36 | 3 | 4.0391 | 4.776 | 0.000 | (0;000) | ✗ | 07/10/16 |
| KPH2SO3 | ICSD | 75217 | Cm (8) | ✗ | 8 | 40 | 1 | 4.6809 | 4.776 | 0.000 | (0;000) | ✗ | 15/02/17 |
| KAlSiO4 | COD | 9002252 | P6_3 (173) | ✗ | 14 | 80 | 3 | 4.7175 | 4.777 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Mg(AlH4)2 | ICSD | 152538 | P-3m1 (164) | ✔ | 11 | 24 | 3 | 4.2588 | 4.779 | 0.000 | (0;000) | ✗ | 05/01/17 |
| KPO3 | ICSD | 26148 | Pnma (62) | ✔ | 20 | 128 | 1 | 4.7829 | 4.783 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsHIF7 | ICSD | 71581 | P-1 (2) | ✔ | 20 | 132 | 1 | 4.706 | 4.783 | 0.000 | (0;000) | ✗ | 02/02/17 |
| C | COD | 9012242 | P6_3/mmc (194) | ✔ | 4 | 16 | 3 | 3.3976 | 4.784 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsGaCl4 | COD | 7221990 | Pnma (62) | ✔ | 24 | 200 | 1 | 4.7858 | 4.786 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaI(OF)2 | COD | 2016692 | Cmcm (63) | ✔ | 12 | 84 | 1 | 4.7043 | 4.786 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CsReO4 | ICSD | 72817 | I4_1/amd (141) | ✔ | 12 | 96 | 1 | 4.7877 | 4.788 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiO2 | COD | 4124080 | Pcca (54) | ✔ | 24 | 128 | 3 | 4.6146 | 4.790 | 0.000 | (0;000) | ✗ | 04/08/17 |
| ScAlO3 | COD | 9005885 | Pnma (62) | ✔ | 20 | 128 | 3 | 4.6104 | 4.791 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Sr2Mg(BO3)2 | COD | 2215221 | C2/m (12) | ✔ | 11 | 72 | 1 | 4.7924 | 4.792 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Be3N2 | ICSD | 25656 | P6_3/mmc (194) | ✔ | 10 | 44 | 1 | 3.3628 | 4.793 | 0.000 | (0;000) | ✗ | 02/02/17 |
| C2(OF2)3 | ICSD | 401780 | P-1 (2) | ✔ | 22 | 136 | 1 | 4.7561 | 4.795 | 0.000 | (0;000) | ✗ | 04/08/17 |
| RbGaCl4 | COD | 8100813 | Pnma (62) | ✔ | 24 | 200 | 1 | 4.7981 | 4.798 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SeF4 | ICSD | 85451 | P2_12_12_1 (19) | ✗ | 20 | 136 | 1 | 4.7305 | 4.799 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CaCO3 | ICSD | 83607 | C2 (5) | ✗ | 15 | 96 | 1 | 4.5726 | 4.806 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li7TaO6 | ICSD | 74950 | R3 (146) | ✗ | 14 | 70 | 2 | 4.6455 | 4.809 | 0.000 | (0;000) | ✗ | 15/02/17 |
| HC2F | COD | 2223886 | C2/c (15) | ✔ | 24 | 96 | 1 | 4.7694 | 4.810 | 0.000 | (0;000) | ✗ | 04/08/17 |
| RbCdF3 | ICSD | 49587 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 3.215 | 4.812 | 0.000 | (0;000) | ✗ | 27/01/17 |
| H5C4N3 | COD | 2015716 | P2_1 (4) | ✗ | 24 | 72 | 1 | 4.7935 | 4.813 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SnH8(NF3)2 | ICSD | 409509 | P-3m1 (164) | ✔ | 17 | 74 | 1 | 4.8135 | 4.814 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MgHOF | ICSD | 186501 | Pnma (62) | ✔ | 16 | 96 | 3 | 4.8158 | 4.816 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HCCl3 | COD | 7211802 | Pnma (62) | ✔ | 20 | 104 | 1 | 4.814 | 4.817 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li3AsO4 | ICSD | 75927 | Pmn2_1 (31) | ✗ | 16 | 76 | 1 | 4.7571 | 4.821 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaBrO3 | COD | 2106225 | P2_13 (198) | ✗ | 20 | 136 | 1 | 4.8193 | 4.821 | 0.000 | (0;000) | ✗ | 21/03/17 |
| NaHCO2 | ICSD | 151320 | C2/c (15) | ✔ | 10 | 52 | 1 | 4.7608 | 4.824 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BAsO4 | ICSD | 413436 | P3_121 (152) | ✗ | 18 | 96 | 3 | 4.7353 | 4.824 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CsLiMoO4 | ICSD | 20805 | F-43m (216) | ✗ | 7 | 50 | 3 | 4.6644 | 4.829 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H2SeO3 | ICSD | 31929 | P2_12_12_1 (19) | ✗ | 24 | 104 | 1 | 4.6454 | 4.832 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K2SbF5 | ICSD | 39630 | Cmcm (63) | ✔ | 16 | 116 | 1 | 4.7652 | 4.832 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbPO3 | ICSD | 74738 | Pnma (62) | ✔ | 20 | 128 | 1 | 4.8349 | 4.835 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaAl2B2O7 | ICSD | 409171 | R32 (155) | ✗ | 12 | 64 | 2 | 4.8336 | 4.843 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiAl(SiO3)2 | COD | 9003400 | C2/c (15) | ✔ | 20 | 100 | 3 | 4.833 | 4.846 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaCa(CO3)2 | COD | 9013465 | P2_1/m (11) | ✔ | 20 | 128 | 1 | 4.8058 | 4.848 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Be(H3C)2 | COD | 5900008 | Ibam (72) | ✔ | 18 | 36 | 1 | 4.8496 | 4.850 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsAlO2 | ICSD | 28372 | Fd-3m (227) | ✔ | 8 | 48 | 3 | 4.8428 | 4.850 | 0.000 | (0;000) | ✗ | 05/01/17 |
| RbBiF6 | COD | 1527498 | R-3 (148) | ✔ | 8 | 66 | 1 | 4.8559 | 4.856 | 0.000 | (0;000) | ✗ | 05/01/17 |