▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pd(Se3Br)2 | ICSD | 418160 | P-1 (2) | ✔ | 9 | 68 | 2 | 0.7959 | 0.796 | 0.000 | (0;000) | ✗ | 02/02/17 |
Te(NCl3)2 | COD | 9016366 | Fm-3m (225) | ✔ | 9 | 58 | 2 | 0.0 | 0.003 | 0.652 | (0;000) | ✗ | 02/02/17 |
InTeI | COD | 1525202 | P2_1/c (14) | ✔ | 12 | 104 | 2 | 1.3786 | 1.379 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr(InP)2 | COD | 2017324 | P6_3/mmc (194) | ✔ | 10 | 92 | 2 | 0.3909 | 0.391 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbFeTe2 | COD | 1005004 | Pmna (53) | ✔ | 16 | 132 | 2 | 0.0 | 0.010 | 0.595 | (1;000) | ✗ | 02/02/17 |
CuHgSCl | ICSD | 98872 | Pmma (51) | ✔ | 16 | 144 | 2 | 1.3992 | 1.571 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlFeSe2 | COD | 1524708 | C2/m (12) | ✔ | 8 | 66 | 2 | 0.0 | 0.016 | 0.372 | (0;000) | ✗ | 02/02/17 |
SnSe | COD | 9008786 | Pnma (62) | ✔ | 8 | 80 | 2 | 0.4969 | 0.652 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3Ni2F7 | ICSD | 33523 | I4/mmm (139) | ✔ | 12 | 96 | 2 | 0.0 | 0.005 | 0.763 | (0;000) | ✗ | 22/03/17 |
RbMoPClO5 | ICSD | 50989 | P4/nmm (129) | ✔ | 18 | 130 | 2 | 0.0 | 0.000 | 0.927 | (0;000) | ✗ | 02/02/17 |
KV3O8 | ICSD | 29075 | P2_1/m (11) | ✔ | 24 | 192 | 2 | 2.4896 | 2.547 | 0.000 | (0;000) | ✗ | 04/08/17 |
KMoPClO5 | ICSD | 50988 | P4/nmm (129) | ✔ | 18 | 130 | 2 | 0.0 | 0.000 | 0.918 | (0;000) | ✗ | 02/02/17 |
Rb2In3 | ICSD | 370026 | I4/mmm (139) | ✔ | 10 | 114 | 2 | 0.0406 | 0.042 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2Ga3 | ICSD | 160496 | I4/mmm (139) | ✔ | 10 | 114 | 2 | 0.2658 | 0.382 | 0.000 | (0;000) | ✗ | 02/02/17 |
TaCoTe2 | ICSD | 73738 | P2_1/c (14) | ✔ | 16 | 168 | 2 | 0.0 | 0.000 | 0.235 | (0;000) | ✗ | 02/02/17 |
Tl4O3 | ICSD | 23478 | P2_1/m (11) | ✔ | 14 | 140 | 2 | 0.0 | 0.104 | 0.781 | (0;000) | ✗ | 29/03/17 |
CrPSe3 | ICSD | 626521 | C2/m (12) | ✔ | 10 | 74 | 2 | 0.0 | 0.007 | 0.417 | (0;001) | ✗ | 02/02/17 |
Cs2Li3GaO4 | ICSD | 69491 | Ibam (72) | ✔ | 20 | 128 | 2 | 4.0292 | 4.029 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbIO2 | ICSD | 418061 | Pnma (62) | ✔ | 16 | 128 | 2 | 1.1368 | 1.320 | 0.000 | (0;000) | ✗ | 02/02/17 |
PbIF | COD | 9007903 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 1.4024 | 1.402 | 0.000 | (0;000) | ✗ | 22/03/17 |
YGaI | ICSD | 417149 | P-3m1 (164) | ✔ | 6 | 62 | 2 | 0.0 | 0.781 | 0.317 | (0;000) | ✗ | 22/03/17 |
GaN5O14 | COD | 4321396 | I-4 (82) | ✗ | 20 | 122 | 2 | 1.5613 | 1.575 | 0.000 | (0;000) | ✗ | 22/03/17 |
PbClO | COD | 9015322 | Pnma (62) | ✔ | 12 | 108 | 2 | 0.0 | 0.001 | 0.655 | (1;011) | ✗ | 02/02/17 |
TlGeI3 | ICSD | 201144 | Pnma (62) | ✔ | 20 | 152 | 2 | 1.6566 | 1.729 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsTiCu3Se4 | ICSD | 391259 | P2_1/m (11) | ✔ | 18 | 156 | 2 | 1.2556 | 1.438 | 0.000 | (0;000) | ✗ | 02/02/17 |
GeI2 | COD | 9009105 | P-3m1 (164) | ✔ | 3 | 18 | 2 | 1.7731 | 1.802 | 0.000 | (0;000) | ✗ | 22/03/17 |
MoH2Cl2O3 | ICSD | 25031 | Pmn2_1 (31) | ✗ | 16 | 96 | 2 | 0.8466 | 0.889 | 0.000 | (0;000) | ✗ | 22/03/17 |
ZrTe3 | ICSD | 653232 | P2_1/m (11) | ✔ | 8 | 44 | 2 | 0.0 | 0.020 | 0.559 | (0;000) | ✗ | 02/02/17 |
CsV(MoO4)2 | ICSD | 202907 | P-3m1 (164) | ✔ | 12 | 98 | 2 | 0.0 | 0.034 | 0.482 | (0;000) | ✗ | 02/02/17 |
InSiTe3 | ICSD | 66356 | P-31m (162) | ✔ | 10 | 70 | 2 | 0.2799 | 0.602 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiNbS2 | ICSD | 26284 | P6_3/mmc (194) | ✔ | 8 | 56 | 2 | 0.6953 | 1.625 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2Ti(CuS2)2 | COD | 4319681 | P4_2/mcm (132) | ✔ | 18 | 152 | 2 | 1.6121 | 1.886 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2LiN | COD | 1526569 | P6/mmm (191) | ✔ | 4 | 26 | 2 | 0.0 | 0.012 | 0.037 | (1;000) | ✗ | 27/01/17 |
TlCuHSeO5 | ICSD | 36582 | P2_1/m (11) | ✔ | 18 | 122 | 2 | 0.0 | 0.000 | 0.332 | (0;000) | ✗ | 02/02/17 |
LiNO3 | ICSD | 67981 | R-3c (167) | ✔ | 10 | 52 | 2 | 3.109 | 3.486 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na2NiH4(SeO5)2 | ICSD | 98684 | P-1 (2) | ✔ | 19 | 104 | 2 | 0.0 | 0.009 | 0.013 | (0;000) | ✗ | 02/02/17 |
HfI4 | ICSD | 200826 | C2/c (15) | ✔ | 20 | 160 | 2 | 1.8004 | 1.800 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfTe5 | COD | 1527386 | Cmcm (63) | ✔ | 12 | 84 | 2 | 0.0451 | 0.045 | 0.000 | (1;110) | ✗ | 02/02/17 |
KNaMg2Si4(O5F)2 | ICSD | 98196 | C2/m (12) | ✔ | 20 | 128 | 2 | 5.3922 | 5.392 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlCO2 | COD | 4308986 | P2_1/c (14) | ✔ | 16 | 116 | 2 | 2.5146 | 2.589 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgPSe3 | ICSD | 639132 | C2/c (15) | ✔ | 20 | 140 | 2 | 1.082 | 1.082 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiRhO2 | COD | 1008161 | R-3m (166) | ✔ | 4 | 32 | 2 | 1.2294 | 1.393 | 0.000 | (0;000) | ✗ | 27/01/17 |
S(IO3)2 | ICSD | 6220 | C2/c (15) | ✔ | 18 | 112 | 2 | 1.8407 | 1.938 | 0.000 | (0;000) | ✗ | 02/02/17 |
TePdI2 | ICSD | 409062 | P-1 (2) | ✔ | 8 | 76 | 2 | 0.59 | 0.606 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiV2O5 | ICSD | 88639 | Pmmn (59) | ✔ | 16 | 118 | 2 | 0.0 | 0.000 | 0.987 | (0;000) | ✗ | 27/01/17 |
K2FeH4(SO5)2 | ICSD | 87958 | P-1 (2) | ✔ | 19 | 102 | 2 | 0.6694 | 0.669 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbSeI3 | ICSD | 410743 | C2/c (15) | ✔ | 20 | 160 | 2 | 0.5739 | 0.580 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbPbI3 | ICSD | 161482 | Pnma (62) | ✔ | 20 | 176 | 2 | 1.8148 | 1.861 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrTe3 | ICSD | 86764 | P2_1/m (11) | ✔ | 8 | 44 | 2 | 0.0 | 0.050 | 0.531 | (0;000) | ✗ | 02/02/17 |
LiIn(IO3)4 | ICSD | 422056 | P-1 (2) | ✔ | 18 | 116 | 2 | 3.3117 | 3.326 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2NaCoF6 | ICSD | 42157 | R-3m (166) | ✔ | 20 | 172 | 2 | 0.666 | 0.668 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbGeI3 | ICSD | 85041 | P2_12_12_1 (19) | ✗ | 20 | 136 | 2 | 1.9977 | 2.094 | 0.000 | (0;000) | ✗ | 22/03/17 |
SbAsO3 | COD | 9015432 | P2_1/c (14) | ✔ | 20 | 112 | 2 | 0.0 | 3.554 | 1.000 | (0;000) | ✗ | 21/03/17 |
LiScS2 | ICSD | 642305 | R-3m (166) | ✔ | 4 | 26 | 2 | 1.5243 | 2.409 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na2TiGeO5 | ICSD | 91546 | P4/nmm (129) | ✔ | 18 | 128 | 2 | 3.3762 | 3.552 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiYSe2 | ICSD | 44963 | R-3m (166) | ✔ | 4 | 26 | 2 | 1.0914 | 2.359 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiGeTe6 | ICSD | 73014 | C2/m (12) | ✔ | 16 | 104 | 2 | 0.1456 | 0.234 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2ZnH4(SeO5)2 | ICSD | 98685 | P-1 (2) | ✔ | 19 | 106 | 2 | 3.678 | 3.780 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrMg2N2 | ICSD | 410826 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 1.7942 | 1.794 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr3Hg | ICSD | 639226 | Pnma (62) | ✔ | 16 | 168 | 2 | 0.0 | 0.010 | 0.233 | (0;000) | ✗ | 02/02/17 |
Al2Si2H4O9 | COD | 9009234 | P1 (1) | ✗ | 17 | 72 | 2 | 4.497 | 4.574 | 0.000 | (0;000) | ✗ | 15/02/17 |
ZrI2 | ICSD | 26418 | P2_1/m (11) | ✔ | 12 | 72 | 2 | 0.2968 | 0.407 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2B2Se7 | COD | 1510813 | C2/c (15) | ✔ | 22 | 132 | 2 | 1.852 | 1.932 | 0.000 | (0;000) | ✗ | 04/08/17 |
InSe | COD | 9008967 | P6_3/mmc (194) | ✔ | 8 | 76 | 2 | 0.0 | 0.119 | 0.074 | (1;000) | ✗ | 02/02/17 |
IO3 | ICSD | 182673 | P-1 (2) | ✔ | 16 | 100 | 2 | 1.7136 | 1.767 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr(InTe2)2 | ICSD | 41167 | Cccm (66) | ✔ | 14 | 120 | 2 | 0.6006 | 1.136 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr(MnSb)2 | ICSD | 41790 | P-3m1 (164) | ✔ | 5 | 50 | 2 | 0.0 | 0.010 | 0.538 | (1;001) | ✗ | 27/01/17 |
InSbS3 | ICSD | 300207 | Pnma (62) | ✔ | 20 | 144 | 2 | 1.4119 | 1.566 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbTeI | COD | 1008205 | C2/m (12) | ✔ | 6 | 36 | 2 | 0.5672 | 0.849 | 0.000 | (0;000) | ✗ | 02/02/17 |
TeI | COD | 1527659 | C2/m (12) | ✔ | 8 | 52 | 2 | 0.4248 | 0.727 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbCoTe2 | COD | 1005003 | Cmce (64) | ✔ | 16 | 168 | 2 | 0.0 | 0.004 | 0.563 | (0;000) | ✗ | 02/02/17 |
BaAlBO3F2 | ICSD | 421141 | P-62c (190) | ✗ | 16 | 96 | 2 | 6.3966 | 6.552 | 0.000 | (0;000) | ✗ | 15/02/17 |
GaPS4 | ICSD | 2613 | P2_1/c (14) | ✔ | 24 | 168 | 2 | 2.1386 | 2.139 | 0.000 | (0;000) | ✗ | 04/08/17 |
K2Mn3S4 | ICSD | 411172 | P2/c (13) | ✔ | 18 | 174 | 2 | 0.0 | 0.000 | 0.660 | (0;100) | ✗ | 02/02/17 |
RbPb2Br5 | COD | 1010211 | I4/mcm (140) | ✔ | 16 | 144 | 2 | 2.4547 | 2.566 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2P2Pd | COD | 7221367 | Cmcm (63) | ✔ | 10 | 92 | 2 | 0.4933 | 0.567 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbSn2Br5 | ICSD | 151989 | I4/mcm (140) | ✔ | 16 | 144 | 2 | 2.2355 | 2.427 | 0.000 | (0;000) | ✗ | 02/02/17 |
MoS2 | COD | 9007660 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.7111 | 1.549 | 0.000 | (0;000) | ✗ | 27/01/17 |
MoSe2 | ICSD | 49800 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.8058 | 1.388 | 0.000 | (0;000) | ✗ | 27/01/17 |
K3V3O8 | COD | 1523955 | P-3m1 (164) | ✔ | 14 | 114 | 2 | 0.0 | 0.027 | 0.580 | (0;000) | ✗ | 02/02/17 |
Te2Mo | COD | 9009147 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.6746 | 0.974 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaNbN2 | ICSD | 657407 | R-3m (166) | ✔ | 4 | 32 | 2 | 1.0313 | 1.255 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgPS3 | ICSD | 642729 | C2/m (12) | ✔ | 10 | 66 | 2 | 2.4505 | 2.456 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrTe2Br5 | ICSD | 69975 | C2/m (12) | ✔ | 16 | 102 | 2 | 1.0371 | 1.115 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2NaYBr6 | ICSD | 65733 | Fm-3m (225) | ✔ | 10 | 80 | 2 | 4.1305 | 4.131 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pd(NO3)2 | ICSD | 425998 | P2_1/c (14) | ✔ | 18 | 128 | 2 | 1.5489 | 1.549 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2ZnO2 | ICSD | 404761 | P2_1/c (14) | ✔ | 20 | 168 | 2 | 1.5299 | 1.530 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrTiN2 | ICSD | 85770 | P4/nmm (129) | ✔ | 8 | 64 | 2 | 0.7908 | 0.791 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrZrN2 | ICSD | 82537 | R-3m (166) | ✔ | 4 | 24 | 2 | 0.0 | 0.609 | 0.011 | (0;000) | ✗ | 27/01/17 |
KTiPSe5 | ICSD | 81297 | C2/m (12) | ✔ | 16 | 112 | 2 | 0.7848 | 0.860 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbSe2 | ICSD | 645379 | P6_3/mmc (194) | ✔ | 12 | 100 | 2 | 0.0 | 0.002 | 0.775 | (0;000) | ✗ | 02/02/17 |
Cs2TeBr6 | ICSD | 65058 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 1.8801 | 2.124 | 0.000 | (0;000) | ✗ | 02/02/17 |
NiPSe3 | ICSD | 646145 | C2/m (12) | ✔ | 10 | 66 | 2 | 0.0 | 0.021 | 0.226 | (0;000) | ✗ | 02/02/17 |
Rb2Li2SiO4 | ICSD | 61086 | P-1 (2) | ✔ | 18 | 104 | 2 | 4.1321 | 4.216 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiO2 | ICSD | 657748 | P2_1/m (11) | ✔ | 12 | 96 | 2 | 0.0 | 0.014 | 0.473 | (0;000) | ✗ | 02/02/17 |
RbTaO3 | COD | 1528059 | C2/m (12) | ✔ | 20 | 160 | 2 | 3.6926 | 3.756 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2MgCr2(H2O5)2 | ICSD | 96781 | P-1 (2) | ✔ | 19 | 120 | 2 | 2.9615 | 2.991 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2OsBr6 | COD | 1011312 | Fm-3m (225) | ✔ | 9 | 76 | 2 | 0.0 | 0.441 | 0.133 | (0;000) | ✗ | 02/02/17 |
P4Os | ICSD | 647710 | P-1 (2) | ✔ | 15 | 108 | 2 | 1.3925 | 1.534 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr3Ti2O7 | COD | 1530317 | I4/mmm (139) | ✔ | 12 | 96 | 2 | 2.0934 | 2.339 | 0.000 | (0;000) | ✗ | 29/03/17 |