▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
SbN9 | ICSD | 413359 | R-3 (148) | ✔ | 20 | 100 | 1 | 2.7027 | 2.734 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaZnSO | ICSD | 245309 | P6_3mc (186) | ✗ | 8 | 68 | 1 | 2.7339 | 2.734 | 0.000 | (0;000) | ✗ | 15/02/17 |
GeS2 | ICSD | 167194 | I-42d (122) | ✗ | 6 | 32 | 3 | 2.3808 | 2.735 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZnHgC4(SeN)4 | ICSD | 188764 | I-4 (82) | ✗ | 14 | 84 | 3 | 2.4413 | 2.735 | 0.000 | (0;000) | ✗ | 21/03/17 |
V2Pb3O8 | ICSD | 67605 | C2 (5) | ✗ | 13 | 116 | 3 | 2.725 | 2.737 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaTiO3 | ICSD | 73630 | R3m (160) | ✗ | 5 | 40 | 3 | 2.4221 | 2.737 | 0.000 | (0;000) | ✗ | 06/10/16 |
ScAgO2 | ICSD | 422442 | R-3m (166) | ✔ | 4 | 34 | 3 | 1.8493 | 2.738 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ag2SO3 | COD | 1509693 | P2_1/c (14) | ✔ | 24 | 184 | 3 | 2.6768 | 2.738 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsAgCl2 | COD | 1509264 | Cmcm (63) | ✔ | 8 | 68 | 2 | 2.3293 | 2.738 | 0.000 | (0;000) | ✗ | 30/01/17 |
RbIn(MoO4)2 | ICSD | 10186 | P-3m1 (164) | ✔ | 12 | 98 | 3 | 2.7374 | 2.739 | 0.000 | (0;000) | ✗ | 04/08/17 |
Rb2Zn3S4 | ICSD | 602243 | Ibam (72) | ✔ | 18 | 156 | 2 | 2.7396 | 2.740 | 0.000 | (0;000) | ✗ | 02/02/17 |
MoPbO4 | COD | 9009404 | I4_1/a (88) | ✔ | 12 | 104 | 3 | 2.6238 | 2.740 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaNO2 | ICSD | 174034 | Imm2 (44) | ✗ | 4 | 26 | 1 | 2.5796 | 2.742 | 0.000 | (0;000) | ✗ | 06/10/16 |
TlH4NCl4 | ICSD | 14020 | I4_1/a (88) | ✔ | 20 | 100 | 1 | 2.7439 | 2.744 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiC | COD | 2310588 | R3m (160) | ✗ | 16 | 64 | 3 | 1.6136 | 2.745 | 0.000 | (0;000) | ✗ | 22/03/17 |
CsCdBr3 | COD | 1527655 | P6_3/mmc (194) | ✔ | 10 | 84 | 1 | 2.7458 | 2.746 | 0.000 | (0;000) | ✗ | 02/02/17 |
C3IF2 | COD | 7208556 | P2_1/c (14) | ✔ | 24 | 132 | 1 | 2.7461 | 2.746 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsNaS | ICSD | 41323 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 2.5959 | 2.748 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiI3 | COD | 2019712 | R-3 (148) | ✔ | 8 | 50 | 1 | 2.7095 | 2.751 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2GeO3 | ICSD | 23781 | Ccm2_1 (36) | ✗ | 12 | 80 | 1 | 2.7517 | 2.752 | 0.000 | (0;000) | ✗ | 06/10/16 |
HgWO4 | COD | 2010794 | C2/c (15) | ✔ | 12 | 128 | 3 | 2.3115 | 2.754 | 0.000 | (0;000) | ✗ | 07/08/17 |
LiYS2 | ICSD | 44957 | R-3m (166) | ✔ | 4 | 26 | 2 | 1.6757 | 2.755 | 0.000 | (0;000) | ✗ | 27/01/17 |
Pb(CO2)2 | ICSD | 109831 | P-1 (2) | ✔ | 14 | 92 | 3 | 2.7558 | 2.756 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2AgBr3 | ICSD | 150288 | Pnma (62) | ✔ | 24 | 200 | 1 | 2.7568 | 2.757 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba2BiSbO6 | COD | 2100575 | Fm-3m (225) | ✔ | 10 | 76 | 3 | 1.6586 | 2.757 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2InO3F | ICSD | 81876 | P4/nmm (129) | ✔ | 14 | 116 | 1 | 2.2156 | 2.759 | 0.000 | (0;000) | ✗ | 02/02/17 |
V2Pb3O8 | ICSD | 67604 | C2 (5) | ✗ | 13 | 116 | 3 | 2.7495 | 2.762 | 0.000 | (0;000) | ✗ | 06/10/16 |
H2C2I | COD | 4508289 | P-1 (2) | ✔ | 20 | 68 | 1 | 2.6863 | 2.762 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbS8Cl3 | ICSD | 35741 | P-1 (2) | ✔ | 24 | 148 | 2 | 2.714 | 2.763 | 0.000 | (0;000) | ✗ | 04/08/17 |
ClF3 | COD | 1529706 | Pnma (62) | ✔ | 16 | 112 | 1 | 2.7457 | 2.765 | 0.000 | (0;000) | ✗ | 02/02/17 |
SCl | ICSD | 37016 | Fdd2 (43) | ✗ | 16 | 104 | 1 | 2.6979 | 2.765 | 0.000 | (0;000) | ✗ | 22/03/17 |
Na2Cr2O7 | ICSD | 2534 | P-1 (2) | ✔ | 22 | 176 | 1 | 2.7424 | 2.765 | 0.000 | (0;000) | ✗ | 07/08/17 |
NaYSe2 | ICSD | 645037 | R-3m (166) | ✔ | 4 | 32 | 2 | 2.0793 | 2.766 | 0.000 | (0;000) | ✗ | 27/01/17 |
K4Bi2O5 | ICSD | 408000 | P-1 (2) | ✔ | 22 | 192 | 1 | 2.6958 | 2.768 | 0.000 | (0;000) | ✗ | 07/08/17 |
ZnNi(CN)4 | ICSD | 169760 | P4_2/mcm (132) | ✔ | 20 | 116 | 3 | 2.7426 | 2.768 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiC | ICSD | 24631 | R3m (160) | ✗ | 18 | 72 | 3 | 1.531 | 2.768 | 0.000 | (0;000) | ✗ | 11/04/17 |
CsAg(NO3)2 | COD | 2008257 | C2/m (12) | ✔ | 20 | 132 | 1 | 2.7484 | 2.769 | 0.000 | (0;000) | ✗ | 16/03/17 |
RbBS2 | COD | 1510950 | R-3c (167) | ✔ | 24 | 144 | 1 | 2.7693 | 2.769 | 0.000 | (0;000) | ✗ | 04/08/17 |
KIO3 | ICSD | 97995 | R3m (160) | ✗ | 5 | 34 | 1 | 2.7686 | 2.769 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsCa(NO2)3 | ICSD | 56433 | R3 (146) | ✗ | 11 | 70 | 1 | 2.7053 | 2.770 | 0.000 | (0;000) | ✗ | 15/02/17 |
Na3AuS2 | COD | 1510251 | R-3c (167) | ✔ | 12 | 100 | 1 | 2.363 | 2.771 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs3TiF7 | COD | 1531503 | P4/mbm (127) | ✔ | 22 | 176 | 1 | 2.7718 | 2.772 | 0.000 | (0;000) | ✗ | 07/08/17 |
K3GaO3 | ICSD | 2269 | C2/m (12) | ✔ | 14 | 116 | 1 | 2.7722 | 2.772 | 0.000 | (0;000) | ✗ | 02/02/17 |
YI3 | ICSD | 170773 | R-3 (148) | ✔ | 8 | 64 | 2 | 2.4263 | 2.773 | 0.000 | (0;000) | ✗ | 06/10/16 |
YI3 | COD | 2206574 | R-3 (148) | ✔ | 8 | 64 | 2 | 2.4264 | 2.773 | 0.000 | (0;000) | ✗ | 02/02/17 |
H2CI2 | COD | 1504381 | Fmm2 (42) | ✗ | 5 | 20 | 1 | 2.5781 | 2.777 | 0.000 | (0;000) | ✗ | 15/02/17 |
As2O3 | COD | 4513294 | P2_1 (4) | ✗ | 20 | 112 | 3 | 2.5456 | 2.777 | 0.000 | (0;000) | ✗ | 21/03/17 |
TlBrO3 | ICSD | 76966 | R3m (160) | ✗ | 5 | 38 | 1 | 2.7769 | 2.778 | 0.000 | (0;000) | ✗ | 06/10/16 |
Hg(IO3)2 | COD | 7222313 | P2_1 (4) | ✗ | 18 | 124 | 3 | 2.7773 | 2.779 | 0.000 | (0;000) | ✗ | 29/03/17 |
Ba(BS2)2 | COD | 1510637 | Cc (9) | ✗ | 14 | 80 | 1 | 2.6688 | 2.785 | 0.000 | (0;000) | ✗ | 21/03/17 |
Cs2SeCl6 | COD | 1010222 | Fm-3m (225) | ✔ | 9 | 66 | 1 | 2.598 | 2.786 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na3Li3N2 | ICSD | 92311 | P-4m2 (115) | ✗ | 8 | 46 | 3 | 2.7879 | 2.788 | 0.000 | (0;000) | ✗ | 07/10/16 |
K2S | ICSD | 412535 | Cmcm (63) | ✔ | 6 | 48 | 1 | 2.7895 | 2.790 | 0.000 | (0;000) | ✗ | 27/01/17 |
AlSeCl7 | ICSD | 9064 | P1 (1) | ✗ | 18 | 116 | 1 | 2.7884 | 2.790 | 0.000 | (0;000) | ✗ | 16/03/17 |
NbSbO4 | COD | 1530606 | Pna2_1 (33) | ✗ | 24 | 168 | 3 | 0.0 | 2.791 | 1.000 | ? | ✗ | 04/08/17 |
SiH4 | ICSD | 159307 | P2_1/c (14) | ✔ | 20 | 32 | 2 | 2.7828 | 2.791 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zn(GaO2)2 | ICSD | 81109 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 2.6084 | 2.793 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2TeCl6 | COD | 1010233 | Fm-3m (225) | ✔ | 9 | 66 | 1 | 2.604 | 2.793 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaC2 | ICSD | 290833 | C2/m (12) | ✔ | 6 | 36 | 1 | 2.378 | 2.794 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cs2PtF6 | ICSD | 78955 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 2.7742 | 2.796 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs(CO)2 | ICSD | 154357 | C2/m (12) | ✔ | 10 | 58 | 1 | 2.7093 | 2.798 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zr(MoO4)2 | ICSD | 98167 | Pmn2_1 (31) | ✗ | 22 | 160 | 3 | 2.7607 | 2.799 | 0.000 | (0;000) | ✗ | 07/08/17 |
Zr(MoO4)2 | COD | 2103589 | C2/m (12) | ✔ | 11 | 80 | 3 | 2.6175 | 2.799 | 0.000 | (0;000) | ✗ | 27/01/17 |
TePbO3 | ICSD | 61343 | P4_1 (76) | ✗ | 20 | 152 | 3 | 2.5754 | 2.799 | 0.000 | (0;000) | ✗ | 29/03/17 |
BaZrO3 | COD | 1532743 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 2.7993 | 2.799 | 0.000 | (0;000) | ✗ | 05/01/17 |
RbC2I3N2 | ICSD | 35411 | Pmmn (59) | ✔ | 16 | 96 | 1 | 2.5739 | 2.800 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaTi2O5 | COD | 2013673 | C2 (5) | ✗ | 24 | 192 | 3 | 2.2987 | 2.801 | 0.000 | (0;000) | ✗ | 04/08/17 |
SnBr4 | ICSD | 51570 | P2_1/c (14) | ✔ | 20 | 168 | 1 | 2.8007 | 2.801 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca2V2O7 | ICSD | 20609 | P-1 (2) | ✔ | 22 | 176 | 1 | 2.7675 | 2.802 | 0.000 | (0;000) | ✗ | 07/08/17 |
V2Pb3O8 | ICSD | 69798 | R-3m (166) | ✔ | 13 | 116 | 3 | 2.6673 | 2.802 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2CaTa2O7 | ICSD | 245841 | I4/mmm (139) | ✔ | 12 | 84 | 2 | 2.3496 | 2.802 | 0.000 | (0;000) | ✗ | 21/03/17 |
Li3Zn2SbO6 | ICSD | 69189 | C2/m (12) | ✔ | 12 | 74 | 2 | 2.6662 | 2.802 | 0.000 | (0;000) | ✗ | 27/01/17 |
TlBi2Cl7 | ICSD | 421318 | P-1 (2) | ✔ | 20 | 184 | 3 | 2.7397 | 2.804 | 0.000 | (0;000) | ✗ | 02/02/17 |
KIn(GeO3)2 | ICSD | 65337 | C2/c (15) | ✔ | 20 | 132 | 3 | 2.731 | 2.805 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlF | COD | 1520825 | P4/nmm (129) | ✔ | 4 | 40 | 1 | 2.7739 | 2.809 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiAl(PS3)2 | ICSD | 425979 | C2/c (15) | ✔ | 20 | 104 | 2 | 2.6621 | 2.809 | 0.000 | (0;000) | ✗ | 16/03/17 |
AlSCl7 | ICSD | 35685 | Pc (7) | ✗ | 18 | 116 | 1 | 2.8088 | 2.809 | 0.000 | (0;000) | ✗ | 16/03/17 |
LiCaAlN2 | ICSD | 424911 | P2_1/c (14) | ✔ | 20 | 104 | 1 | 2.8043 | 2.811 | 0.000 | (0;000) | ✗ | 30/01/17 |
CsSnCl3 | COD | 1527954 | P2_1/c (14) | ✔ | 20 | 176 | 1 | 2.8109 | 2.811 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiOF | COD | 9009163 | P4/nmm (129) | ✔ | 6 | 56 | 1 | 2.8147 | 2.815 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaNO2 | ICSD | 60765 | Im2m (44) | ✗ | 4 | 26 | 1 | 2.6408 | 2.815 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cs2SnCl6 | COD | 1010228 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 2.8166 | 2.817 | 0.000 | (0;000) | ✗ | 02/02/17 |
V2Cd2O7 | ICSD | 62081 | C2/m (12) | ✔ | 11 | 92 | 3 | 2.6098 | 2.817 | 0.000 | (0;000) | ✗ | 22/03/17 |
CaV2O6 | ICSD | 21064 | C2/m (12) | ✔ | 9 | 72 | 1 | 2.8183 | 2.818 | 0.000 | (0;000) | ✗ | 04/08/17 |
ZnWO4 | COD | 2101686 | P-1 (2) | ✔ | 12 | 128 | 3 | 2.6316 | 2.818 | 0.000 | (0;000) | ✗ | 11/04/17 |
Sr(GaS2)2 | ICSD | 635274 | Cccm (66) | ✔ | 14 | 120 | 1 | 2.7389 | 2.819 | 0.000 | (0;000) | ✗ | 02/02/17 |
KYSiS4 | ICSD | 602576 | P2_1 (4) | ✗ | 14 | 96 | 1 | 2.8007 | 2.819 | 0.000 | (0;000) | ✗ | 29/03/17 |
Te3SeO8 | COD | 1530582 | P-1 (2) | ✔ | 24 | 144 | 2 | 2.82 | 2.820 | 0.000 | (0;000) | ✗ | 04/08/17 |
KCO2 | COD | 4313233 | Pbam (55) | ✔ | 16 | 100 | 1 | 2.8207 | 2.821 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaLiV2O6 | ICSD | 30019 | C2/c (15) | ✔ | 20 | 148 | 1 | 2.7521 | 2.821 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2Cr2O7 | COD | 2010992 | C2/c (15) | ✔ | 22 | 176 | 1 | 2.8202 | 2.822 | 0.000 | (0;000) | ✗ | 07/08/17 |
Rb2Cr2O7 | COD | 8100514 | P-1 (2) | ✔ | 22 | 176 | 1 | 2.8086 | 2.822 | 0.000 | (0;000) | ✗ | 07/08/17 |
Rb(CO)2 | ICSD | 154356 | C2/m (12) | ✔ | 10 | 58 | 1 | 2.7302 | 2.822 | 0.000 | (0;000) | ✗ | 27/01/17 |
NO2 | COD | 2104473 | Im3 (204) | ✔ | 18 | 102 | 1 | 2.8252 | 2.825 | 0.000 | (0;000) | ✗ | 02/02/17 |
SnPCl9 | ICSD | 60093 | P-1 (2) | ✔ | 22 | 164 | 1 | 2.8264 | 2.826 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba5Nb4O15 | ICSD | 95192 | P-3m1 (164) | ✔ | 24 | 192 | 1 | 2.8172 | 2.827 | 0.000 | (0;000) | ✗ | 04/08/17 |
InClO | ICSD | 24058 | Pmmn (59) | ✔ | 6 | 52 | 2 | 2.552 | 2.827 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgSeO3 | ICSD | 412548 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 2.3972 | 2.828 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaCr2In(H2O5)2 | COD | 2015315 | C2/m (12) | ✔ | 18 | 114 | 3 | 2.8092 | 2.828 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaNO2 | ICSD | 4243 | Imm2 (44) | ✗ | 4 | 26 | 1 | 2.6518 | 2.828 | 0.000 | (0;000) | ✗ | 06/10/16 |