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
Fe2Te4H3Cl1O12	2	P-1	-P 1	Triclinic	2.06460 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Cr2P4H30N4O22	12	C2/m	-C 2y	Monoclinic	3.77880 eV	CIF \| POSCAR \| LAMMPS	Materials Project
K8Hf6Mn2P12O48	4	P21	P 2yb	Monoclinic	3.83080 eV	CIF \| POSCAR \| LAMMPS	Materials Project
K4V6P8H8O38	2	P-1	-P 1	Triclinic	1.97630 eV	CIF \| POSCAR \| LAMMPS	Materials Project
V2H10Se4N2O14	11	P21/m	-P 2yb	Monoclinic	2.08510 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Na4Co8H4Se8O28	62	Pnma	-P 2ac 2n	Orthorhombic	2.75750 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Mn4Si4Sn1B2H2O18	2	P-1	-P 1	Triclinic	2.74220 eV	CIF \| POSCAR \| LAMMPS	Materials Project
K4Mn2H8S4O20	2	P-1	-P 1	Triclinic	4.21090 eV	CIF \| POSCAR \| LAMMPS	Materials Project
V2H14C8O16	2	P-1	-P 1	Triclinic	1.89480 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Cr2P4H26N4O20	2	P-1	-P 1	Triclinic	3.60960 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ca4Mn14Si20H24O70	2	P-1	-P 1	Triclinic	3.14580 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Sr4La16Ti4Cr16O60	1	P1	P 1	Triclinic	1.76360 eV	CIF \| POSCAR \| LAMMPS	Materials Project
La5Mn1Re3O16	2	P-1	-P 1	Triclinic	0.00000 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Co1H14C10N8O2	12	C2/m	-C 2y	Monoclinic	2.46740 eV	CIF \| POSCAR \| LAMMPS	Materials Project
V2P2H12C4N6O14	2	P-1	-P 1	Triclinic	1.77460 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ni1H14C10N8O2	12	C2/m	-C 2y	Monoclinic	3.94830 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ca11Y1Al15Cr4Si1O48	5	C2	C 2y	Monoclinic	0.01980 eV	CIF \| POSCAR \| LAMMPS	Materials Project
V4H64C16N12O48	19	P212121	P 2ac 2ab	Orthorhombic	3.08520 eV	CIF \| POSCAR \| LAMMPS	Materials Project
La5Co1Re3O16	2	P-1	-P 1	Triclinic	0.00000 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Fe2H8C4O12	15	C2/c	-C 2yc	Monoclinic	2.50920 eV	CIF \| POSCAR \| LAMMPS	Materials Project