▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ZnSi(CuS2)2 | ICSD | 236248 | Pc (7) | ✗ | 16 | 124 | 3 | 1.684 | 1.684 | 0.000 | (0;000) | ✗ | 22/03/17 |
ZnSi(CuS2)2 | ICSD | 628866 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 1.3074 | 1.308 | 0.000 | (0;000) | ✗ | 22/03/17 |
ZnCu2SnS4 | ICSD | 185597 | Pmn2_1 (31) | ✗ | 16 | 144 | 3 | 0.6953 | 0.695 | 0.000 | (0;000) | ✗ | 22/03/17 |
ZnCu2SiSe4 | ICSD | 629079 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.6565 | 0.657 | 0.000 | (0;000) | ✗ | 22/03/17 |
Zr5Pb3 | COD | 1522609 | P6_3/mcm (193) | ✔ | 16 | 124 | 3 | 0.0 | 0.010 | 0.548 | (1;000) | ✗ | 02/02/17 |
KClO2 | COD | 9014207 | P2_1/m (11) | ✔ | 16 | 112 | 2 | 0.0 | 0.004 | 0.426 | (0;010) | ✗ | 27/01/17 |
MnSi2O5 | COD | 9001951 | C2/c (15) | ✔ | 16 | 106 | 3 | 0.0 | 0.000 | 0.431 | (1;101) | ✗ | 27/01/17 |
H4CN2O | COD | 1008786 | P-42_1m (113) | ✗ | 16 | 48 | 1 | 5.1355 | 5.136 | 0.000 | (0;000) | ✗ | 15/02/17 |
H4CN2O | COD | 1008785 | P-42_1m (113) | ✗ | 16 | 48 | 1 | 5.1508 | 5.151 | 0.000 | (0;000) | ✗ | 15/02/17 |
Cu3PS4 | ICSD | 656975 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.7252 | 0.725 | 0.000 | (0;000) | ✗ | 22/03/17 |
Cu3SbS4 | ICSD | 42672 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.5599 | 0.560 | 0.000 | (0;000) | ✗ | 22/03/17 |
Ta2Tl3Cu3S8 | ICSD | 406210 | C2 (5) | ✗ | 16 | 146 | 1 | 0.3824 | 0.101 | 1.000 | ? | ✗ | 22/03/17 |
KSb | COD | 9016016 | P2_1/c (14) | ✔ | 16 | 112 | 3 | 0.0 | 0.727 | 1.000 | (0;000) | ✗ | 02/02/17 |
PCl3 | ICSD | 27798 | Pnma (62) | ✔ | 16 | 104 | 1 | 3.8453 | 3.871 | 0.000 | (0;000) | ✗ | 02/02/17 |
KO3 | COD | 1518207 | I4/mcm (140) | ✔ | 16 | 108 | 1 | 0.0 | 0.000 | 0.588 | (0;000) | ✗ | 02/02/17 |
KNO2 | ICSD | 86117 | P2_1/c (14) | ✔ | 16 | 104 | 1 | 2.4941 | 2.579 | 0.000 | (0;000) | ✗ | 02/02/17 |
H4NClO2 | COD | 2205376 | P-42_1m (113) | ✗ | 16 | 56 | 1 | 2.8507 | 2.901 | 0.000 | (0;000) | ✗ | 15/02/17 |
MoN | ICSD | 43559 | P-31m (162) | ✔ | 16 | 152 | 3 | 0.0 | 0.003 | 0.650 | (1;000) | ✗ | 27/01/17 |
CuHgSI | ICSD | 413309 | Pna2_1 (33) | ✗ | 16 | 144 | 3 | 0.7199 | 0.720 | 0.000 | (0;000) | ✗ | 22/03/17 |
KTeP2 | COD | 4105329 | P2_1/m (11) | ✔ | 16 | 100 | 1 | 1.0863 | 1.302 | 0.000 | (0;000) | ✗ | 02/02/17 |
KTiPS5 | ICSD | 82262 | C2/m (12) | ✔ | 16 | 112 | 1 | 1.1891 | 1.275 | 0.000 | (0;000) | ✗ | 02/02/17 |
KTiPSe5 | ICSD | 81297 | C2/m (12) | ✔ | 16 | 112 | 2 | 0.7848 | 0.860 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y5Pb3 | ICSD | 648656 | P6_3/mcm (193) | ✔ | 16 | 194 | 3 | 0.0 | 0.000 | 0.821 | (0;000) | ✗ | 02/02/17 |
KSbSe2 | COD | 7221206 | P-1 (2) | ✔ | 16 | 104 | 1 | 1.4458 | 1.453 | 0.000 | (0;000) | ✗ | 02/02/17 |
Nb4CrSi3 | ICSD | 601734 | I4/mcm (140) | ✔ | 16 | 156 | 3 | 0.0 | 0.003 | 0.726 | (0;000) | ✗ | 02/02/17 |
Li2ZnSi | COD | 1528031 | P-3m1 (164) | ✔ | 16 | 88 | 1 | 0.0 | 0.245 | 0.364 | (0;000) | ✗ | 02/02/17 |
Sr2LiReN4 | ICSD | 411454 | P2_1/m (11) | ✔ | 16 | 116 | 1 | 1.9125 | 1.944 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr3BPO3 | ICSD | 401207 | P6_3/mmc (194) | ✔ | 16 | 112 | 1 | 2.106 | 2.352 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiMoS2 | COD | 1531962 | P-1 (2) | ✔ | 16 | 116 | 3 | 0.2758 | 0.281 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiSi | COD | 4030885 | I4_1/a (88) | ✔ | 16 | 56 | 3 | 0.0 | 0.662 | 0.046 | (1;111) | ✗ | 02/02/17 |
LiYO2 | COD | 1008941 | P2_1/c (14) | ✔ | 16 | 104 | 3 | 4.2319 | 4.232 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsSn2Cl5 | COD | 1525543 | I4/mcm (140) | ✔ | 16 | 144 | 2 | 2.919 | 3.043 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3Ge4Au | COD | 1510174 | Pmmn (59) | ✔ | 16 | 108 | 1 | 0.709 | 0.813 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiV2O5 | COD | 1529744 | Cmcm (63) | ✔ | 16 | 118 | 2 | 0.0 | 0.000 | 0.985 | (1;000) | ✗ | 02/02/17 |
CsPb2Cl5 | COD | 4302867 | I4/mcm (140) | ✔ | 16 | 144 | 2 | 3.12 | 3.294 | 0.000 | (0;000) | ✗ | 02/02/17 |
PHF2 | ICSD | 406360 | P2_12_12_1 (19) | ✗ | 16 | 80 | 1 | 3.7561 | 3.781 | 0.000 | (0;000) | ✗ | 22/03/17 |
LiSi | ICSD | 96509 | I4_1/a (88) | ✔ | 16 | 56 | 1 | 0.0 | 0.085 | 0.336 | (1;111) | ✗ | 02/02/17 |
LiYF2 | COD | 2001129 | I4_1/a (88) | ✔ | 16 | 112 | 3 | 0.0 | 0.010 | 0.659 | (1;111) | ✗ | 22/03/17 |
LiP | COD | 9015447 | P2_1/c (14) | ✔ | 16 | 64 | 1 | 0.8201 | 1.112 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb3Ge4Au | COD | 1510175 | Pmmn (59) | ✔ | 16 | 108 | 3 | 0.8011 | 0.975 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgNi2P | ICSD | 74784 | Pnma (62) | ✔ | 16 | 140 | 3 | 0.0 | 0.001 | 0.347 | (0;101) | ✗ | 02/02/17 |
HfFeCl6 | ICSD | 39817 | P-31c (163) | ✔ | 16 | 124 | 2 | 0.7637 | 0.783 | 0.000 | (0;000) | ✗ | 02/02/17 |
SeOF2 | COD | 4031233 | Pca2_1 (29) | ✗ | 16 | 104 | 1 | 4.1822 | 4.182 | 0.000 | (0;000) | ✗ | 22/03/17 |
TeOF2 | COD | 1521091 | P2_1 (4) | ✗ | 16 | 104 | 3 | 3.8393 | 3.841 | 0.000 | (0;000) | ✗ | 22/03/17 |
H5CBrN | COD | 2227485 | C2/m (12) | ✔ | 16 | 42 | 1 | 4.616 | 4.657 | 0.000 | (0;000) | ✗ | 27/01/17 |
YSiPd2 | ICSD | 35087 | Pnma (62) | ✔ | 16 | 204 | 3 | 0.0 | 0.001 | 0.403 | (0;101) | ✗ | 02/02/17 |
Tl4PbSe3 | ICSD | 648545 | I4/mcm (140) | ✔ | 16 | 168 | 3 | 0.0 | 0.016 | 0.044 | (0;000) | ✗ | 02/02/17 |
PbF3 | ICSD | 23467 | P-4c2 (116) | ✗ | 16 | 140 | 3 | 0.6313 | 0.631 | 0.000 | (0;000) | ✗ | 22/03/17 |
RbF3 | ICSD | 9935 | P2_12_12_1 (19) | ✗ | 16 | 120 | 1 | 0.0 | 0.154 | 0.644 | ? | ✗ | 22/03/17 |
KTeHOF4 | ICSD | 155199 | P2_1 (4) | ✗ | 16 | 100 | 1 | 4.8867 | 5.105 | 0.000 | (0;000) | ✗ | 22/03/17 |
Cs2TeOF4 | ICSD | 411626 | Cmcm (63) | ✔ | 16 | 116 | 1 | 5.2321 | 5.241 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3Sn4Au | ICSD | 107444 | Pmmn (59) | ✔ | 16 | 188 | 1 | 0.0 | 0.012 | 0.223 | (1;000) | ✗ | 02/02/17 |
Ta4AlC3 | ICSD | 157843 | P6_3/mmc (194) | ✔ | 16 | 134 | 3 | 0.0 | 0.000 | 0.909 | (1;000) | ✗ | 27/01/17 |
CdSb2Se3Br2 | ICSD | 159464 | C2/m (12) | ✔ | 16 | 108 | 3 | 0.9933 | 1.005 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2MnF5 | COD | 1530560 | C2/c (15) | ✔ | 16 | 112 | 1 | 0.0 | 0.019 | 0.219 | (0;000) | ✗ | 22/03/17 |
CsWCl6 | COD | 1527332 | C2/c (15) | ✔ | 16 | 130 | 1 | 0.0 | 0.002 | 0.475 | (1;010) | ✗ | 02/02/17 |
K5P2Au | COD | 1008880 | P6_3/mmc (194) | ✔ | 16 | 132 | 1 | 0.5298 | 0.532 | 0.000 | (0;000) | ✗ | 02/02/17 |
CrPb2O5 | COD | 8103050 | C2/m (12) | ✔ | 16 | 144 | 3 | 1.8045 | 2.012 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb3Sn4Au | ICSD | 107445 | Pmmn (59) | ✔ | 16 | 188 | 1 | 0.0 | 0.027 | 0.226 | (1;000) | ✗ | 02/02/17 |
Mn3V2Si3 | ICSD | 643689 | P6_3/mcm (193) | ✔ | 16 | 166 | 3 | 0.0 | 0.000 | 0.773 | (1;001) | ✗ | 02/02/17 |
SiC | ICSD | 24630 | P6_3mc (186) | ✗ | 16 | 64 | 3 | 1.78 | 2.877 | 0.000 | (0;000) | ✗ | 15/02/17 |
Rb2NaMnO4 | COD | 2206577 | P2_1/m (11) | ✔ | 16 | 132 | 1 | 0.0 | 0.011 | 0.310 | (0;000) | ✗ | 02/02/17 |
NaAuSe2 | COD | 1510244 | P2_1/c (14) | ✔ | 16 | 128 | 2 | 0.9668 | 1.097 | 0.000 | (0;000) | ✗ | 02/02/17 |
KNbF6 | COD | 2310528 | P-4c2 (116) | ✗ | 16 | 128 | 3 | 2.9122 | 2.918 | 0.000 | (0;000) | ✗ | 22/03/17 |
ZrFeCl6 | ICSD | 39666 | P-31c (163) | ✔ | 16 | 108 | 2 | 0.7473 | 0.778 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnGeN2 | COD | 1528213 | Pna2_1 (33) | ✗ | 16 | 104 | 3 | 1.8898 | 1.890 | 0.000 | (0;000) | ✗ | 15/02/17 |
MnSe2O5 | ICSD | 73936 | C2/c (15) | ✔ | 16 | 114 | 3 | 0.0 | 0.000 | 0.431 | (1;011) | ✗ | 02/02/17 |
Nb5Si3 | COD | 1528784 | I4/mcm (140) | ✔ | 16 | 154 | 3 | 0.0 | 0.000 | 0.607 | (0;111) | ✗ | 02/02/17 |
CoSb2Br2O3 | ICSD | 418858 | P-1 (2) | ✔ | 16 | 118 | 2 | 0.0 | 0.018 | 1.000 | (1;110) | ✗ | 02/02/17 |
Tl2PAuS4 | ICSD | 85680 | P2_1/m (11) | ✔ | 16 | 132 | 2 | 0.9005 | 0.970 | 0.000 | (0;000) | ✗ | 02/02/17 |
GaHO2 | COD | 8100298 | Pnma (62) | ✔ | 16 | 104 | 3 | 3.5929 | 3.638 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb3Pb4Au | ICSD | 107447 | Pmmn (59) | ✔ | 16 | 188 | 1 | 0.0 | 0.026 | 0.367 | (1;000) | ✗ | 02/02/17 |
ZrTl2PbS4 | ICSD | 237507 | C2/c (15) | ✔ | 16 | 136 | 3 | 0.5808 | 1.368 | 0.000 | (0;000) | ✗ | 02/02/17 |
P3N5 | ICSD | 56876 | C2/c (15) | ✔ | 16 | 80 | 3 | 3.7067 | 4.005 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na3SbO4 | COD | 1525240 | P2/c (13) | ✔ | 16 | 112 | 1 | 2.0196 | 2.020 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaSbCl6 | ICSD | 36517 | P4_2/m (84) | ✔ | 16 | 112 | 1 | 2.3564 | 2.356 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbCl3 | ICSD | 8258 | Pnma (62) | ✔ | 16 | 104 | 1 | 3.5764 | 3.619 | 0.000 | (0;000) | ✗ | 02/02/17 |
Si3Mo5 | ICSD | 644410 | P6_3/mcm (193) | ✔ | 16 | 164 | 3 | 0.0 | 0.004 | 0.827 | (0;000) | ✗ | 02/02/17 |
Si3Mo5 | ICSD | 644413 | I4/mcm (140) | ✔ | 16 | 164 | 3 | 0.0 | 0.002 | 0.665 | (1;000) | ✗ | 02/02/17 |
MnGeN2 | ICSD | 23528 | Pna2_1 (33) | ✗ | 16 | 116 | 3 | 0.0 | 0.001 | 0.427 | ? | ✗ | 15/02/17 |
Ti2(FeGe)3 | ICSD | 53479 | Ima2 (46) | ✗ | 16 | 120 | 3 | 0.0 | 0.010 | 0.543 | ? | ✗ | 22/03/17 |
Y3Si3Pd2 | ICSD | 35086 | Cmcm (63) | ✔ | 16 | 162 | 3 | 0.0 | 0.000 | 0.928 | (0;110) | ✗ | 02/02/17 |
ZrTl2PbSe4 | ICSD | 237508 | C2/c (15) | ✔ | 16 | 136 | 3 | 0.0 | 0.930 | 0.030 | (0;000) | ✗ | 02/02/17 |
CaGe2O5 | COD | 8103645 | P-1 (2) | ✔ | 16 | 96 | 3 | 2.9045 | 2.938 | 0.000 | (0;000) | ✗ | 27/01/17 |
Nb5Si3 | ICSD | 645424 | P6_3/mcm (193) | ✔ | 16 | 154 | 3 | 0.0 | 0.000 | 0.717 | (0;000) | ✗ | 02/02/17 |
NaPt3O4 | ICSD | 32546 | Pm-3n (223) | ✔ | 16 | 126 | 3 | 0.0 | 0.000 | 0.761 | (1;000) | ✗ | 27/01/17 |
Li2FeGeS4 | ICSD | 425762 | Pc (7) | ✗ | 16 | 84 | 3 | 0.0 | 0.017 | 0.457 | ? | ✗ | 22/03/17 |
NaPd3O4 | ICSD | 245608 | Pm-3n (223) | ✔ | 16 | 174 | 3 | 0.0 | 0.000 | 0.909 | (0;000) | ✗ | 27/01/17 |
LiRe(OF2)2 | COD | 4321982 | P-42_1m (113) | ✗ | 16 | 116 | 1 | 3.3117 | 3.315 | 0.000 | (0;000) | ✗ | 15/02/17 |
AgCO2 | ICSD | 109600 | P2_1/c (14) | ✔ | 16 | 108 | 3 | 0.9917 | 1.322 | 0.000 | (0;000) | ✗ | 27/01/17 |
AgCO2 | COD | 2010419 | P2_1/c (14) | ✔ | 16 | 108 | 3 | 2.5594 | 2.628 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2FeSnS4 | ICSD | 425761 | Pc (7) | ✗ | 16 | 104 | 3 | 0.0 | 0.010 | 0.502 | ? | ✗ | 22/03/17 |
Fe2NiP | ICSD | 153485 | I-4 (82) | ✗ | 16 | 124 | 3 | 0.0 | 0.025 | 1.000 | ? | ✗ | 15/02/17 |
Na4FeO3 | COD | 1527544 | Cc (9) | ✗ | 16 | 124 | 3 | 0.0 | 0.002 | 0.154 | (0;000) | ✔ | 22/03/17 |
NaFeO2 | ICSD | 186309 | Pna2_1 (33) | ✗ | 16 | 116 | 3 | 0.0 | 0.000 | 0.554 | ? | ✗ | 22/03/17 |
NaFeO2 | ICSD | 33775 | P4_12_12 (92) | ✗ | 16 | 116 | 3 | 0.0 | 0.003 | 0.434 | ? | ✗ | 22/03/17 |
MoO3 | COD | 9014987 | Pnma (62) | ✔ | 16 | 128 | 2 | 2.2396 | 3.008 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaV2O5 | COD | 1525676 | Pmmn (59) | ✔ | 16 | 130 | 2 | 0.0 | 0.000 | 0.992 | (1;010) | ✗ | 27/01/17 |
Ti2FeO5 | COD | 2002318 | Cmcm (63) | ✔ | 16 | 124 | 3 | 0.0 | 0.006 | 0.214 | (1;000) | ✗ | 22/03/17 |
MoPb2O5 | COD | 7220560 | C2/m (12) | ✔ | 16 | 144 | 3 | 2.6543 | 2.911 | 0.000 | (0;000) | ✗ | 02/02/17 |