Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| S(OF)2 | ICSD | 62968 | P4_12_12 (92) | ✗ | 20 | 128 | 1 | 6.6222 | 6.639 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Rb2MgF4 | ICSD | 69681 | I4/mmm (139) | ✔ | 7 | 56 | 2 | 6.5096 | 6.639 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaLiF3 | ICSD | 45310 | Pm-3m (221) | ✔ | 5 | 34 | 1 | 6.6401 | 6.640 | 0.000 | (0;000) | ✗ | 05/01/17 |
| NaMgF3 | COD | 9003812 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 6.1969 | 6.641 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CClF3 | ICSD | 49696 | Ccm2_1 (36) | ✗ | 10 | 64 | 1 | 6.6335 | 6.643 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KP(HO2)2 | ICSD | 186817 | C222_1 (20) | ✗ | 16 | 80 | 2 | 6.4968 | 6.643 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Rb2NaYF6 | ICSD | 25369 | Fm-3m (225) | ✔ | 10 | 80 | 2 | 6.6501 | 6.650 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrF2 | ICSD | 168801 | P6_3/mmc (194) | ✔ | 6 | 48 | 2 | 6.438 | 6.666 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2GeF6 | COD | 1010101 | P-3m1 (164) | ✔ | 9 | 64 | 1 | 6.653 | 6.680 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2HfF6 | ICSD | 25600 | P-3m1 (164) | ✔ | 9 | 72 | 1 | 6.6489 | 6.683 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiB(CN)4 | COD | 4308584 | P-43m (215) | ✗ | 10 | 42 | 1 | 6.563 | 6.689 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CaSO4 | COD | 5000040 | Cmcm (63) | ✔ | 12 | 80 | 1 | 6.2076 | 6.694 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2HfF6 | ICSD | 29514 | C2/c (15) | ✔ | 18 | 144 | 1 | 6.6195 | 6.713 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsB(CN)4 | COD | 4308582 | I4_1/a (88) | ✔ | 20 | 96 | 1 | 6.6641 | 6.715 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HS2N(O2F)2 | ICSD | 165234 | P2_1 (4) | ✗ | 20 | 112 | 1 | 6.6299 | 6.731 | 0.000 | (0;000) | ✗ | 22/03/17 |
| K3YF6 | ICSD | 416296 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 6.6499 | 6.735 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HCN | ICSD | 76418 | I4mm (107) | ✗ | 3 | 10 | 1 | 6.3817 | 6.740 | 0.000 | (0;000) | ✗ | 15/02/17 |
| RbCaF3 | COD | 1530112 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 6.635 | 6.752 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb3NaBe2F8 | COD | 1008068 | P-3m1 (164) | ✔ | 14 | 100 | 1 | 6.6979 | 6.755 | 0.000 | (0;000) | ✗ | 02/02/17 |
| GeF4 | ICSD | 202558 | I-43m (217) | ✗ | 5 | 32 | 1 | 6.2961 | 6.758 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li4CO4 | ICSD | 245405 | C2 (5) | ✗ | 9 | 40 | 1 | 6.7435 | 6.759 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li2ZrF6 | COD | 1528581 | P-31m (162) | ✔ | 9 | 52 | 1 | 6.6389 | 6.759 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaB4O7 | COD | 7209486 | Pmn2_1 (31) | ✗ | 24 | 128 | 3 | 6.4573 | 6.760 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na5Hf2F13 | COD | 4331657 | C2/m (12) | ✔ | 20 | 160 | 1 | 6.7605 | 6.779 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2MgF4 | ICSD | 33519 | I4/mmm (139) | ✔ | 7 | 56 | 2 | 6.6361 | 6.783 | 0.000 | (0;000) | ✗ | 27/01/17 |
| B2O3 | COD | 1510796 | P3_121 (152) | ✗ | 15 | 72 | 3 | 6.5637 | 6.789 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BeCl2 | COD | 1526848 | Ibam (72) | ✔ | 6 | 36 | 1 | 6.5568 | 6.792 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaMgF4 | ICSD | 182596 | Ccm2_1 (36) | ✗ | 12 | 96 | 2 | 6.6299 | 6.798 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CO2 | ICSD | 166852 | R-3c (167) | ✔ | 24 | 128 | 1 | 6.6343 | 6.801 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KRb2ScF6 | ICSD | 81679 | P2_1/c (14) | ✔ | 20 | 160 | 2 | 6.7988 | 6.811 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaF2 | ICSD | 51239 | Pmc2_1 (26) | ✗ | 6 | 48 | 1 | 6.5997 | 6.813 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LaF3 | ICSD | 167553 | Pmmn (59) | ✔ | 8 | 48 | 3 | 6.5026 | 6.822 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaF2 | COD | 9009004 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 6.7708 | 6.829 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CaSO4 | COD | 9003569 | Pnma (62) | ✔ | 24 | 160 | 1 | 6.7502 | 6.838 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K2HfF6 | ICSD | 47243 | P4/mnc (128) | ✔ | 18 | 144 | 1 | 6.7296 | 6.844 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li2SO4 | ICSD | 153807 | Cmcm (63) | ✔ | 14 | 72 | 1 | 6.6118 | 6.850 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2KYF6 | ICSD | 155977 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 6.8517 | 6.852 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbBe2F5 | ICSD | 28541 | P1 (1) | ✗ | 8 | 52 | 2 | 6.8553 | 6.858 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cs2NaScF6 | ICSD | 55694 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 6.8514 | 6.862 | 0.000 | (0;000) | ✗ | 27/01/17 |
| H3OF | ICSD | 24382 | Pnma (62) | ✔ | 20 | 64 | 1 | 6.8666 | 6.867 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SiO2 | COD | 9007154 | P4_2/mnm (136) | ✔ | 6 | 32 | 3 | 6.8678 | 6.868 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaB(CN)4 | COD | 4308585 | Fd-3m (227) | ✔ | 20 | 96 | 1 | 6.8589 | 6.878 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbHF2 | ICSD | 45859 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 6.8504 | 6.883 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SF6 | COD | 1526434 | C2/m (12) | ✔ | 21 | 144 | 1 | 6.8724 | 6.886 | 0.000 | (0;000) | ✗ | 04/08/17 |
| ScF3 | ICSD | 261089 | Pm-3m (221) | ✔ | 4 | 32 | 3 | 6.3805 | 6.897 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KCaF3 | ICSD | 181643 | Pnma (62) | ✔ | 20 | 160 | 1 | 6.8806 | 6.902 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SF6 | ICSD | 63362 | Im-3m (229) | ✔ | 7 | 48 | 1 | 6.9017 | 6.902 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BH6N | ICSD | 181422 | Cmc2_1 (36) | ✗ | 16 | 28 | 1 | 6.5504 | 6.904 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiTaF6 | ICSD | 165205 | R-3 (148) | ✔ | 8 | 58 | 1 | 6.9064 | 6.906 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaHF2 | COD | 1010284 | R-3m (166) | ✔ | 4 | 24 | 1 | 6.6482 | 6.928 | 0.000 | (0;000) | ✗ | 27/01/17 |