| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| FeS | ICSD | 87502 | P6_3mc (186) | ✗ | 16 | 112 | 3 | 0.0 | 0.002 | 0.580 | ? | ✗ | 22/03/17 |
| CuHgSeCl | COD | 1001109 | Pbam (55) | ✔ | 16 | 144 | 3 | 0.868 | 0.874 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CuHClO | ICSD | 38384 | P2_1/c (14) | ✔ | 16 | 100 | 2 | 0.0 | 0.014 | 0.317 | (1;000) | ✗ | 02/02/17 |
| HgHOF | ICSD | 8267 | P2_12_12_1 (19) | ✗ | 16 | 104 | 3 | 1.1761 | 1.481 | 0.000 | (0;000) | ✗ | 22/03/17 |
| IO2F | COD | 4320644 | P2_12_12_1 (19) | ✗ | 16 | 104 | 3 | 2.7801 | 2.903 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CsBa2Nb3O10 | ICSD | 93676 | P4/mmm (123) | ✔ | 16 | 128 | 2 | 1.7309 | 2.086 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiVPO4F | ICSD | 184601 | P-1 (2) | ✔ | 16 | 104 | 3 | 0.0 | 0.004 | 0.701 | (0;000) | ✗ | 22/03/17 |
| SnS5N2 | COD | 2104053 | Pbam (55) | ✔ | 16 | 108 | 3 | 0.0 | 0.004 | 0.443 | (1;100) | ✗ | 02/02/17 |
| CsBa2Cr2F11 | ICSD | 167093 | I4/mmm (139) | ✔ | 16 | 134 | 1 | 0.0 | 0.001 | 0.756 | (1;000) | ✗ | 02/02/17 |
| CuHgSCl | ICSD | 98872 | Pmma (51) | ✔ | 16 | 144 | 2 | 1.3992 | 1.571 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li3CaMnN3 | ICSD | 408324 | R-3 (148) | ✔ | 16 | 98 | 2 | 0.174 | 0.174 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ba2LiFe2N3 | ICSD | 71060 | C2/c (15) | ✔ | 16 | 108 | 1 | 0.0 | 0.006 | 0.407 | (1;000) | ✗ | 02/02/17 |
| Ta3N5 | COD | 1005006 | Cmcm (63) | ✔ | 16 | 128 | 3 | 1.2557 | 1.519 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CuHClO | ICSD | 91088 | P2_1/c (14) | ✔ | 16 | 100 | 2 | 0.0 | 0.030 | 0.337 | (0;001) | ✗ | 02/02/17 |
| CuCl | COD | 9013927 | Pa3 (205) | ✔ | 16 | 144 | 3 | 0.5672 | 0.567 | 0.000 | (0;000) | ✗ | 02/02/17 |
| VS2Br2N3 | ICSD | 61088 | P-1 (2) | ✔ | 16 | 108 | 1 | 0.633 | 0.645 | 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 |
| SrSiN2 | COD | 4343851 | P2_1/c (14) | ✔ | 16 | 96 | 1 | 2.9169 | 3.060 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Zr3Co2Si3 | ICSD | 625141 | Cmcm (63) | ✔ | 16 | 116 | 3 | 0.0 | 0.010 | 0.916 | (0;000) | ✗ | 02/02/17 |
| LiGaS2 | COD | 1531588 | Pna2_1 (33) | ✗ | 16 | 112 | 3 | 3.1472 | 3.147 | 0.000 | (0;000) | ✗ | 22/03/17 |
| LiGaSe2 | COD | 1531591 | Pna2_1 (33) | ✗ | 16 | 112 | 3 | 2.2259 | 2.226 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Ba2LiReN4 | ICSD | 411453 | P2_1/m (11) | ✔ | 16 | 116 | 1 | 1.9097 | 1.910 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CuSe2Cl | ICSD | 68292 | P2_1/c (14) | ✔ | 16 | 120 | 2 | 0.7697 | 0.926 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ta3N5 | COD | 1528098 | Cmcm (63) | ✔ | 16 | 128 | 3 | 0.0 | 0.022 | 0.497 | (0;000) | ✗ | 02/02/17 |
| ReNClF5 | ICSD | 33542 | P2_1/m (11) | ✔ | 16 | 124 | 1 | 1.9084 | 1.916 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaGaO2 | ICSD | 36652 | Pna2_1 (33) | ✗ | 16 | 136 | 3 | 3.0736 | 3.074 | 0.000 | (0;000) | ✗ | 22/03/17 |
| ClF3 | COD | 1529706 | Pnma (62) | ✔ | 16 | 112 | 1 | 2.7457 | 2.765 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CuTe2Cl | ICSD | 641 | P2_1/c (14) | ✔ | 16 | 120 | 2 | 0.517 | 0.717 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Tl4Te3Pb | ICSD | 648621 | I4/mcm (140) | ✔ | 16 | 168 | 3 | 0.0 | 0.040 | 0.020 | (0;000) | ✗ | 02/02/17 |
| NaSO2 | COD | 2310568 | P2/c (13) | ✔ | 16 | 108 | 1 | 2.6817 | 2.684 | 0.000 | (0;000) | ✗ | 02/02/17 |
| GaSe | ICSD | 2002 | P6_3mc (186) | ✗ | 16 | 152 | 1 | 0.8502 | 0.851 | 0.000 | (0;000) | ✗ | 22/03/17 |
| HgSNCl | ICSD | 20269 | Pnma (62) | ✔ | 16 | 120 | 1 | 0.0 | 0.005 | 0.387 | (1;000) | ✗ | 02/02/17 |
| Nb5Si3 | ICSD | 645411 | I4/mcm (140) | ✔ | 16 | 154 | 3 | 0.0 | 0.002 | 0.360 | (0;000) | ✗ | 02/02/17 |
| LiFeMoClO4 | ICSD | 65346 | P2_1/m (11) | ✔ | 16 | 112 | 3 | 0.0 | 0.033 | 0.657 | (1;000) | ✗ | 02/02/17 |
| NaYO2 | ICSD | 2740 | C2/c (15) | ✔ | 16 | 128 | 3 | 4.2228 | 4.223 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlF3 | COD | 1528563 | Pnma (62) | ✔ | 16 | 136 | 3 | 1.4643 | 1.525 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaPd3O4 | COD | 1008075 | Pm-3n (223) | ✔ | 16 | 176 | 3 | 0.0 | 0.004 | 0.120 | (0;000) | ✗ | 27/01/17 |
| Y3Ge5 | ICSD | 20612 | Fdd2 (43) | ✗ | 16 | 106 | 3 | 0.0 | 0.000 | 0.778 | ? | ✗ | 22/03/17 |
| YF3 | ICSD | 26595 | Pnma (62) | ✔ | 16 | 128 | 3 | 7.8042 | 7.839 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaSi2O5 | COD | 9002042 | C2/c (15) | ✔ | 16 | 96 | 3 | 5.4246 | 5.508 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaSiSnO5 | COD | 9006655 | C2/c (15) | ✔ | 16 | 116 | 3 | 3.6012 | 3.668 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaTiSiO5 | COD | 1011220 | C2/c (15) | ✔ | 16 | 112 | 3 | 3.1981 | 3.228 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiGaO2 | COD | 1526802 | Pna2_1 (33) | ✗ | 16 | 112 | 3 | 3.4861 | 3.487 | 0.000 | (0;000) | ✗ | 15/02/17 |
| KGeNO | ICSD | 60002 | Pca2_1 (29) | ✗ | 16 | 96 | 1 | 3.0607 | 3.061 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Hg2ClO | COD | 9009904 | C2/c (15) | ✔ | 16 | 148 | 3 | 1.8283 | 1.933 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Hg2ClO | COD | 2310659 | C2/c (15) | ✔ | 16 | 148 | 3 | 1.3653 | 1.404 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MgGeN2 | ICSD | 636948 | Pna2_1 (33) | ✗ | 16 | 96 | 3 | 2.9643 | 3.177 | 0.000 | (0;000) | ✗ | 15/02/17 |
| HPbClO | COD | 9008250 | Pnma (62) | ✔ | 16 | 112 | 1 | 3.0497 | 3.098 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ICl | COD | 9008992 | P2_1/c (14) | ✔ | 16 | 112 | 1 | 1.6268 | 1.696 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na2ZnGeO4 | COD | 2008958 | Pc (7) | ✗ | 16 | 116 | 3 | 2.8509 | 3.032 | 0.000 | (0;000) | ✗ | 22/03/17 |
| NaGeSbO5 | ICSD | 39646 | C2/c (15) | ✔ | 16 | 96 | 3 | 2.5211 | 2.521 | 0.000 | (0;000) | ✗ | 22/03/17 |
| NaSb | COD | 9008950 | P2_1/c (14) | ✔ | 16 | 112 | 1 | 0.6112 | 0.614 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ni5Ge3 | ICSD | 77958 | C2 (5) | ✗ | 16 | 124 | 3 | 0.0 | 0.009 | 0.546 | ? | ✗ | 15/02/17 |
| Nb2PdS5 | ICSD | 192215 | C2/m (12) | ✔ | 16 | 148 | 3 | 0.0 | 0.035 | 0.342 | (1;001) | ✗ | 02/02/17 |
| NaSi | COD | 8102990 | C2/c (15) | ✔ | 16 | 104 | 1 | 1.1134 | 1.225 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaSi | ICSD | 174082 | C2/c (15) | ✔ | 16 | 104 | 1 | 1.0045 | 1.393 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KH3F4 | COD | 4124451 | R-3c (167) | ✔ | 16 | 80 | 1 | 6.4747 | 6.534 | 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 |
| SrGe(HO2)2 | ICSD | 30320 | I-42d (122) | ✗ | 16 | 80 | 3 | 4.6209 | 4.716 | 0.000 | (0;000) | ✗ | 15/02/17 |
| RbSr2Nb3O10 | ICSD | 93674 | P4/mmm (123) | ✔ | 16 | 128 | 2 | 1.2847 | 1.849 | 0.000 | (0;000) | ✗ | 02/02/17 |
| InSb2S4Cl | ICSD | 159468 | C2/m (12) | ✔ | 16 | 108 | 3 | 1.4761 | 1.484 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaCO2 | COD | 8103690 | P2_1/c (14) | ✔ | 16 | 100 | 1 | 2.5411 | 2.613 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ba3Ge5 | ICSD | 167163 | Cmcm (63) | ✔ | 16 | 100 | 1 | 0.0 | 0.004 | 0.405 | (1;110) | ✗ | 02/02/17 |
| Fe3P | ICSD | 43365 | I-4 (82) | ✗ | 16 | 116 | 3 | 0.0 | 0.013 | 1.000 | ? | ✗ | 15/02/17 |
| Ti3Ge | ICSD | 638055 | I-4 (82) | ✗ | 16 | 160 | 3 | 0.0 | 0.001 | 0.799 | ? | ✗ | 28/03/17 |
| Li2ZnGeO4 | ICSD | 34362 | Pc (7) | ✗ | 16 | 92 | 3 | 3.3234 | 3.361 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiH2N | COD | 4124005 | I-4 (82) | ✗ | 16 | 40 | 1 | 3.5285 | 3.667 | 0.000 | (0;000) | ✗ | 15/02/17 |
| KP(HO2)2 | COD | 9009237 | Fdd2 (43) | ✗ | 16 | 80 | 3 | 0.0 | 0.003 | 0.163 | (0;000) | ✔ | 28/03/17 |
| Ba3NiO4 | ICSD | 30662 | R-3c (167) | ✔ | 16 | 128 | 2 | 0.0 | 0.002 | 0.082 | (0;000) | ✗ | 02/02/17 |
| CaH2CClO3 | ICSD | 95291 | C2/m (12) | ✔ | 16 | 82 | 1 | 3.5109 | 3.606 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrP3 | ICSD | 23628 | C2/m (12) | ✔ | 16 | 100 | 1 | 0.3599 | 0.360 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaBiCO4F | ICSD | 87759 | Pmmn (59) | ✔ | 16 | 120 | 1 | 0.0 | 0.006 | 0.260 | (0;000) | ✗ | 27/01/17 |
| LiClO2 | COD | 2014617 | P4_2/ncm (138) | ✔ | 16 | 88 | 1 | 2.6354 | 2.635 | 0.000 | (0;000) | ✗ | 02/02/17 |
| In3Co | COD | 1524662 | P4_2/mnm (136) | ✔ | 16 | 224 | 3 | 0.0 | 0.011 | 0.342 | (0;000) | ✗ | 02/02/17 |
| SeCl | ICSD | 37018 | P2_1/c (14) | ✔ | 16 | 104 | 1 | 2.1612 | 2.199 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KP(HO2)2 | COD | 1010458 | I-42d (122) | ✗ | 16 | 80 | 3 | 5.5574 | 5.568 | 0.000 | (0;000) | ✗ | 15/02/17 |
| RbP(HO2)2 | ICSD | 54873 | Fdd2 (43) | ✗ | 16 | 80 | 3 | 0.0 | 0.006 | 0.019 | (1;000) | ✔ | 28/03/17 |
| RbP(HO2)2 | ICSD | 69317 | I-42d (122) | ✗ | 16 | 80 | 3 | 5.5219 | 5.567 | 0.000 | (0;000) | ✗ | 28/03/17 |
| SrCN2 | ICSD | 75040 | Pnma (62) | ✔ | 16 | 96 | 1 | 3.7125 | 4.317 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Mo3P | COD | 4333614 | I-42m (121) | ✗ | 16 | 188 | 3 | 0.0 | 0.001 | 0.684 | ? | ✗ | 28/03/17 |
| PH2NO4 | ICSD | 76970 | I-42d (122) | ✗ | 16 | 72 | 3 | 0.0 | 0.004 | 0.269 | (1;000) | ✔ | 29/03/17 |
| RbP(HO2)2 | ICSD | 69318 | Fdd2 (43) | ✗ | 16 | 80 | 1 | 0.0 | 0.027 | 0.134 | (0;000) | ✔ | 29/03/17 |
| NClO6 | ICSD | 25817 | C2/c (15) | ✔ | 16 | 96 | 1 | 2.1258 | 2.155 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cl2 | COD | 9015583 | P4_2/ncm (138) | ✔ | 16 | 112 | 1 | 0.2095 | 0.551 | 0.000 | (0;000) | ✗ | 02/02/17 |
| I | COD | 5900010 | P2_1/c (14) | ✔ | 16 | 112 | 1 | 0.0 | 0.007 | 0.889 | (1;000) | ✗ | 02/02/17 |
| Sb3ClO4 | ICSD | 410039 | P2/c (13) | ✔ | 16 | 92 | 3 | 0.0 | 2.942 | 1.000 | (0;000) | ✗ | 02/02/17 |
| NCl | COD | 9014419 | Pa3 (205) | ✔ | 16 | 96 | 1 | 0.0 | 0.005 | 0.742 | (1;000) | ✗ | 02/02/17 |
| PH3 | COD | 1010132 | P4_232 (208) | ✗ | 16 | 32 | 1 | 0.0 | 0.002 | 0.604 | ? | ✗ | 29/03/17 |
| NbPt3 | ICSD | 54283 | P2_1/m (11) | ✔ | 16 | 172 | 3 | 0.0 | 0.046 | 0.868 | (0;010) | ✗ | 02/02/17 |
| Nb5SiSn2 | COD | 1528586 | I4/mcm (140) | ✔ | 16 | 194 | 3 | 0.0 | 0.000 | 0.532 | (1;111) | ✗ | 02/02/17 |
| Hf3Sb | ICSD | 638878 | I-4 (82) | ✗ | 16 | 164 | 3 | 0.0 | 0.046 | 0.486 | ? | ✗ | 29/03/17 |
| Re3Se4Cl | ICSD | 35623 | P-1 (2) | ✔ | 16 | 152 | 3 | 0.9776 | 1.114 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KP(HO2)2 | ICSD | 186817 | C222_1 (20) | ✗ | 16 | 80 | 2 | 6.4968 | 6.643 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NbNiP2 | COD | 1524303 | Pnma (62) | ✔ | 16 | 132 | 3 | 0.0 | 0.000 | 0.323 | (0;100) | ✗ | 02/02/17 |
| NbO3 | COD | 9015165 | Im3 (204) | ✔ | 16 | 124 | 3 | 0.0 | 0.002 | 0.701 | (0;111) | ✗ | 02/02/17 |
| RbNa7(CoO3)2 | ICSD | 66006 | C2/m (12) | ✔ | 16 | 142 | 1 | 0.0 | 0.013 | 0.132 | (0;001) | ✗ | 02/02/17 |
| Li3VO4 | COD | 1528868 | Pmn2_1 (31) | ✗ | 16 | 92 | 1 | 4.0483 | 4.077 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CN | COD | 2310460 | Pbca (61) | ✔ | 16 | 72 | 1 | 5.2499 | 5.250 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaCSN | ICSD | 22273 | Pnma (62) | ✔ | 16 | 96 | 1 | 4.1244 | 4.235 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiNi3 | ICSD | 646585 | Pnma (62) | ✔ | 16 | 136 | 3 | 0.0 | 0.014 | 0.306 | (0;000) | ✗ | 27/01/17 |