▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BaNiF6 | ICSD | 35396 | R-3m (166) | ✔ | 8 | 62 | 1 | 1.4123 | 1.426 | 0.000 | (0;000) | ✗ | 05/01/17 |
MgH4(ClO5)2 | COD | 2104833 | C2/m (12) | ✔ | 17 | 88 | 2 | 3.083 | 3.109 | 0.000 | (0;000) | ✗ | 27/01/17 |
H4C3N2Cl | COD | 2005472 | C2/m (12) | ✔ | 20 | 66 | 1 | 2.2005 | 2.250 | 0.000 | (0;000) | ✗ | 02/02/17 |
H5C3BrN | COD | 7101076 | P-1 (2) | ✔ | 20 | 58 | 1 | 2.9198 | 2.977 | 0.000 | (0;000) | ✗ | 02/02/17 |
OsC3I2O3 | ICSD | 68901 | C2/m (12) | ✔ | 18 | 120 | 1 | 1.7617 | 1.846 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hf2Al3C4 | ICSD | 161588 | P6_3/mmc (194) | ✔ | 18 | 98 | 3 | 0.0 | 0.000 | 0.988 | (0;000) | ✗ | 02/02/17 |
As2Se3 | ICSD | 611373 | C2/m (12) | ✔ | 10 | 56 | 1 | 0.5143 | 0.533 | 0.000 | (0;000) | ✗ | 30/01/17 |
KBa4Au(CO)4 | COD | 2002878 | I4/mmm (139) | ✔ | 14 | 100 | 2 | 2.399 | 2.399 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(CO)4 | ICSD | 412830 | I4/mcm (140) | ✔ | 18 | 100 | 1 | 2.5686 | 2.652 | 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 |
KB(CN)4 | ICSD | 411180 | I4_1/a (88) | ✔ | 20 | 96 | 1 | 6.4334 | 6.461 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaB(CN)4 | COD | 4308585 | Fd-3m (227) | ✔ | 20 | 96 | 1 | 6.8589 | 6.878 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbB(CN)4 | COD | 4308589 | I4_1/a (88) | ✔ | 20 | 96 | 1 | 6.58 | 6.604 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlB(CN)4 | COD | 4308590 | I4_1/a (88) | ✔ | 20 | 104 | 1 | 5.027 | 5.031 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca(CO)4 | ICSD | 248078 | I4_1/amd (141) | ✔ | 18 | 100 | 1 | 4.1602 | 4.205 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrC | ICSD | 183162 | F-43m (216) | ✗ | 2 | 16 | 3 | 0.3943 | 0.467 | 0.000 | (0;000) | ✔ | 06/10/16 |
H4C4BrN | COD | 2003427 | C2/m (12) | ✔ | 20 | 64 | 2 | 4.0401 | 4.124 | 0.000 | (0;000) | ✗ | 02/02/17 |
H4C4SO | COD | 2010884 | P-1 (2) | ✔ | 20 | 64 | 1 | 1.3594 | 1.421 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na3H5(CO2)4 | ICSD | 109935 | P-1 (2) | ✔ | 20 | 96 | 1 | 4.5508 | 4.603 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3ReC4(N2O)2 | ICSD | 16121 | P-1 (2) | ✔ | 14 | 90 | 1 | 2.574 | 2.574 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3ReC4(N2O)2 | ICSD | 30430 | P-1 (2) | ✔ | 14 | 90 | 3 | 0.0 | 0.098 | 0.453 | (0;000) | ✗ | 02/02/17 |
K3TcC4(N2O)2 | ICSD | 260824 | P-1 (2) | ✔ | 14 | 90 | 1 | 2.2512 | 2.257 | 0.000 | (0;000) | ✗ | 02/02/17 |
KC4N3 | ICSD | 77046 | P-1 (2) | ✔ | 16 | 80 | 1 | 2.5789 | 2.580 | 0.000 | (0;000) | ✗ | 02/02/17 |
KTl(CN)4 | COD | 4308988 | I4_1/a (88) | ✔ | 20 | 116 | 1 | 5.7854 | 5.883 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaC4N3 | ICSD | 31926 | P-1 (2) | ✔ | 16 | 80 | 1 | 3.6724 | 3.698 | 0.000 | (0;000) | ✗ | 02/02/17 |