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
Cu2H20S2O18	2	P-1	-P 1	Triclinic	0.03630 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ca2B6H14O18	2	P-1	-P 1	Triclinic	5.41080 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Na2Ca9Nd1Y5Ho1F41	1	P1	P 1	Triclinic	6.10810 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Be8As4H36O36	14	P21/c	-P 2ybc	Monoclinic	4.20530 eV	CIF \| POSCAR \| LAMMPS	Materials Project
H16Ru12C36N8O36	2	P-1	-P 1	Triclinic	2.58090 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Na9Zr8Si4P8O48	1	P1	P 1	Triclinic	1.38670 eV	CIF \| POSCAR \| LAMMPS	Materials Project
P12H88C12N36O44	14	P21/c	-P 2ybc	Monoclinic	4.98470 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Cs4Al4H96S8O80	205	Pa-3	-P 2ac 2ab 3	Cubic	0.42810 eV	CIF \| POSCAR \| LAMMPS	Materials Project
H24Os20Pt8C68O68	14	P21/c	-P 2ybc	Monoclinic	1.72210 eV	CIF \| POSCAR \| LAMMPS	Materials Project
V4Cu52Sn4As8S64	17	P2221	P 2c 2	Orthorhombic	0.20700 eV	CIF \| POSCAR \| LAMMPS	Materials Project
K8Te2P8H20O40	15	C2/c	-C 2yc	Monoclinic	3.58540 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ca2Ga4Cu6Ru4O24	201	Pn-3	P 2 2 3 -1n	Cubic	0.00000 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Sr2La14Ti2Ga14O48	5	C2	C 2y	Monoclinic	2.52300 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Li20Si2P4S24	1	P1	P 1	Triclinic	2.56380 eV	CIF \| POSCAR \| LAMMPS	Materials Project
H20N20	14	P21/c	-P 2ybc	Monoclinic	4.35920 eV	CIF \| POSCAR \| LAMMPS	Materials Project
K2Cd4H16C20N30O8	1	P1	P 1	Triclinic	2.78250 eV	CIF \| POSCAR \| LAMMPS	Materials Project
H48C12N24O12	92	P41212	P 4abw 2nw	Tetragonal	3.57950 eV	CIF \| POSCAR \| LAMMPS	Materials Project
K1H28S4N7O16	1	P1	P 1	Triclinic	0.00760 eV	CIF \| POSCAR \| LAMMPS	Materials Project
H4Os28C80O76	14	P21/c	-P 2ybc	Monoclinic	0.72590 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Li4P4H16N4O12F4	14	P21/c	-P 2ybc	Monoclinic	5.10410 eV	CIF \| POSCAR \| LAMMPS	Materials Project