Catalyst Hub | First database in catalyst field. Here, you can download files of cif or POSCAR of crystal structures freely.

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Li20Sn2P4Se24	1	P1	P 1	Triclinic	1.36590 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Li20Si2P4Se24	1	P1	P 1	Triclinic	1.46330 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Li20Si2P4O24	1	P1	P 1	Triclinic	5.10630 eV	CIF \| POSCAR \| LAMMPS	Materials Project
H24S4N8O16	19	P212121	P 2ac 2ab	Orthorhombic	2.06450 eV	CIF \| POSCAR \| LAMMPS	Materials Project
H24S8N8O24	61	Pbca	-P 2ac 2ab	Orthorhombic	5.40350 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Na6As2H28S2O20	4	P21	P 2yb	Monoclinic	3.25410 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Na4Ge1H28Se4O14	5	C2	C 2y	Monoclinic	2.04430 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Na4B20H16O40	14	P21/c	-P 2ybc	Monoclinic	5.57230 eV	CIF \| POSCAR \| LAMMPS	Materials Project
H26S4N6O16	15	C2/c	-C 2yc	Monoclinic	5.12430 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ca6B15H6Cl3O30	1	P1	P 1	Triclinic	5.09890 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Li4Be4H20N8F16	33	Pna21	P 2c -2n	Orthorhombic	5.69240 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Na8H8C4O16	29	Pca21	P 2c -2ac	Orthorhombic	4.15890 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Na8H16S8O32	62	Pnma	-P 2ac 2n	Orthorhombic	5.30520 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Na4Cu2H8S4O20	14	P21/c	-P 2ybc	Monoclinic	0.76920 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ca8As8H24O40	60	Pbcn	-P 2n 2ab	Orthorhombic	3.94960 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Rb14Na3Al17Si31O96	1	P1	P 1	Triclinic	2.05980 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Mg1H12S2O12	2	P-1	-P 1	Triclinic	0.07790 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ca2P2H8O10F2	2	P-1	-P 1	Triclinic	0.00000 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Al2H24O10F10	1	P1	P 1	Triclinic	4.46860 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Cu2H24N4Cl8O4	136	P42/mnm	-P 4n 2n	Tetragonal	0.53290 eV	CIF \| POSCAR \| LAMMPS	Materials Project