TopoMat Database

▹ Formula	▹ Source	▴ ID	▹ space group	▹ centered	▹ nat	▹ ne	▹ dim	▹ gap	▹ dir. gap	▹ met.	▹ ν	wcc	▹ updated
Mg₃As₂	COD	1010124	Pn-3m (224)	✔	10	80	3	0.7835	0.869	0.000	(0;000)	✗	30/01/17
Zn₃As₂	COD	1010125	Pn-3m (224)	✔	10	92	3	0.0	0.017	0.172	(0;111)	✗	05/01/17
Zn₃P₂	COD	1010126	Pn-3m (224)	✔	10	92	3	0.0	0.004	0.124	(0;000)	✗	27/01/17
Cd₃P₂	COD	1010127	Pn-3m (224)	✔	10	92	3	0.0	0.005	0.246	(1;000)	✗	02/02/17
Al₂CuO₄	COD	1010128	Fd-3m (227)	✔	14	82	3	0.0	0.000	0.705	(0;000)	✗	05/01/17
PH₃	COD	1010132	P4_232 (208)	✗	16	32	1	0.0	0.002	0.604	?	✗	29/03/17
AsH₃	COD	1010133	P4_232 (208)	✗	16	32	1	0.0	0.001	0.567	?	✗	21/03/17
SiF₄	COD	1010134	Pn-3m (224)	✔	10	64	3	3.6397	3.760	0.000	(0;000)	✗	27/01/17
AlPO₄	COD	1010142	I-4 (82)	✗	6	32	3	2.4343	2.620	0.000	(0;000)	✗	15/02/17
Cs₂AgAuCl₆	COD	1010145	Fm-3m (225)	✔	10	82	3	0.0	0.000	0.488	(0;000)	✗	30/01/17
AsBr₃	COD	1010147	P2_12_12_1 (19)	✗	16	104	1	2.8654	2.924	0.000	(0;000)	✗	21/03/17
N₂O	COD	1010149	Pn-3m (224)	✔	12	64	3	0.0	0.004	0.551	(0;000)	✗	27/01/17
CO₂	COD	1010150	Pn-3m (224)	✔	12	64	3	1.7292	1.729	0.000	(0;000)	✗	27/01/17
NaSbO₃	COD	1010156	Fd-3m (227)	✔	20	128	3	0.0	0.000	0.586	(0;000)	✗	02/02/17
AlTl₂F₅	COD	1010159	Cmcm (63)	✔	16	128	1	3.7681	3.802	0.000	(0;000)	✗	30/01/17
Cu₃N	COD	1010167	Pm-3m (221)	✔	4	38	3	0.0	0.675	0.090	(0;000)	✗	27/01/17
Rb₄O₇	COD	1010171	I-43d (220)	✗	22	156	1	0.0	0.000	0.673	?	✗	04/08/17
Cs₄O₇	COD	1010172	I-43d (220)	✗	22	156	1	0.0	0.000	0.455	?	✗	07/08/17
K₂SnCl₆	COD	1010173	Fm-3m (225)	✔	9	74	2	2.3917	2.392	0.000	(0;000)	✗	02/02/17
Rb₂SnCl₆	COD	1010175	Fm-3m (225)	✔	9	74	1	2.7072	2.707	0.000	(0;000)	✗	02/02/17
Tl₂SnCl₆	COD	1010177	Fm-3m (225)	✔	9	82	1	2.9112	2.911	0.000	(0;000)	✗	02/02/17
K₂TeCl₆	COD	1010188	I4/mmm (139)	✔	9	66	1	2.3605	2.621	0.000	(0;000)	✗	02/02/17
Tl₂TeCl₆	COD	1010192	Fm-3m (225)	✔	9	74	2	2.4889	2.708	0.000	(0;000)	✗	02/02/17
Rb₂TiCl₆	COD	1010193	Fm-3m (225)	✔	9	72	1	2.2001	2.243	0.000	(0;000)	✗	02/02/17
BaGeF₆	COD	1010206	R-3m (166)	✔	8	56	1	6.4215	6.422	0.000	(0;000)	✗	05/01/17
RbPb₂Br₅	COD	1010211	I4/mcm (140)	✔	16	144	2	2.4547	2.566	0.000	(0;000)	✗	02/02/17
NaClO₄	COD	1010214	Cmcm (63)	✔	12	80	1	3.4632	3.634	0.000	(0;000)	✗	27/01/17
NaClO₃	COD	1010216	P2_13 (198)	✗	20	136	1	5.9333	5.938	0.000	(0;000)	✗	22/03/17
KClO₃	COD	1010217	P2_1/m (11)	✔	10	68	1	1.326	1.347	0.000	(0;000)	✗	27/01/17
Cs₂TiCl₆	COD	1010219	Fm-3m (225)	✔	9	72	1	2.2724	2.314	0.000	(0;000)	✗	02/02/17
Rb₂SeCl₆	COD	1010221	Fm-3m (225)	✔	9	66	1	2.4927	2.728	0.000	(0;000)	✗	02/02/17
Cs₂SeCl₆	COD	1010222	Fm-3m (225)	✔	9	66	1	2.598	2.786	0.000	(0;000)	✗	02/02/17
Rb₂ZrCl₆	COD	1010223	Fm-3m (225)	✔	9	64	1	3.5199	3.520	0.000	(0;000)	✗	02/02/17
Cs₂ZrCl₆	COD	1010224	Fm-3m (225)	✔	9	64	1	3.6126	3.650	0.000	(0;000)	✗	02/02/17
Cs₂SnCl₆	COD	1010228	Fm-3m (225)	✔	9	74	1	2.8166	2.817	0.000	(0;000)	✗	02/02/17
Rb₂TeCl₆	COD	1010232	Fm-3m (225)	✔	9	66	2	2.5055	2.733	0.000	(0;000)	✗	02/02/17
Cs₂TeCl₆	COD	1010233	Fm-3m (225)	✔	9	66	1	2.604	2.793	0.000	(0;000)	✗	02/02/17
Rb₂PtCl₆	COD	1010237	Fm-3m (225)	✔	9	70	1	1.7119	1.712	0.000	(0;000)	✗	02/02/17
Cs₂PtCl₆	COD	1010238	Fm-3m (225)	✔	9	70	1	1.745	1.745	0.000	(0;000)	✗	02/02/17
Tl₂PtCl₆	COD	1010239	Fm-3m (225)	✔	9	78	1	1.619	1.664	0.000	(0;000)	✗	02/02/17
Rb₂PbCl₆	COD	1010241	Fm-3m (225)	✔	9	74	2	1.5379	1.538	0.000	(0;000)	✗	02/02/17
Cs₂PbCl₆	COD	1010242	Fm-3m (225)	✔	9	74	1	1.7069	1.707	0.000	(0;000)	✗	02/02/17
ZrSi₂	COD	1010265	Cmcm (63)	✔	6	24	3	0.0	0.009	0.697	(1;110)	✗	27/01/17
BaS₃	COD	1010269	P2_12_12 (18)	✗	16	112	3	0.8913	0.979	0.000	(0;000)	✗	21/03/17
TiS₂	COD	1010275	P-3m1 (164)	✔	3	24	2	0.0	0.374	0.116	(0;000)	✗	27/01/17
TiSe₂	COD	1010276	P-3m1 (164)	✔	3	24	2	0.0	0.000	0.273	(1;000)	✗	27/01/17
Si₂Mo	COD	1010282	I4/mmm (139)	✔	3	22	3	0.0	0.040	0.239	(1;111)	✗	27/01/17
Si₂W	COD	1010283	I4/mmm (139)	✔	3	22	3	0.0	0.047	0.269	(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
Cs₂SiF₆	COD	1010285	Fm-3m (225)	✔	9	64	1	6.2138	6.244	0.000	(0;000)	✗	27/01/17

13628 materials founds