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
H28I4N8	60	Pbcn	-P 2n 2ab	Orthorhombic	3.69260 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Li2Cu1P6H20C2N6O22	2	P-1	-P 1	Triclinic	0.41550 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Na5Ca2Ce3Ti8Nb2O30	99	P4mm	P 4 -2	Tetragonal	0.00060 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ca6Si2H60C2S2O50	173	P63	P 6c	Hexagonal	4.48310 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Ga12P12H24C8N4O52	14	P21/c	-P 2ybc	Monoclinic	0.56160 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Na8P4H40O34	15	C2/c	-C 2yc	Monoclinic	3.08820 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Mg8P8H48O52	14	P21/c	-P 2ybc	Monoclinic	5.07380 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Mg2P2H32N2O20	31	Pmn21	P 2ac -2	Orthorhombic	4.82160 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Cs2Mg2H24Cl6O12	1	P1	P 1	Triclinic	4.91820 eV	CIF \| POSCAR \| LAMMPS	Materials Project
U4H56N16O32	61	Pbca	-P 2ac 2ab	Orthorhombic	2.23850 eV	CIF \| POSCAR \| LAMMPS	Materials Project
P4H44N8O16	14	P21/c	-P 2ybc	Monoclinic	5.34050 eV	CIF \| POSCAR \| LAMMPS	Materials Project
H8Ru16C52O52	2	P-1	-P 1	Triclinic	1.79790 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Rb2B10H16O24	41	Aba2	A 2 -2ac	Orthorhombic	0.00000 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Al4Si4H8O18	9	Cc	C -2yc	Monoclinic	4.93290 eV	CIF \| POSCAR \| LAMMPS	Materials Project
K8P8H8O28	2	P-1	-P 1	Triclinic	5.09610 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Li20Sn2P4S24	1	P1	P 1	Triclinic	2.33900 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Li20Sn2P4O24	1	P1	P 1	Triclinic	3.27260 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Li20Ge2P4Se24	1	P1	P 1	Triclinic	1.31310 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Sr12Co2C4N14	18	P21212	P 2 2ab	Orthorhombic	0.27440 eV	CIF \| POSCAR \| LAMMPS	Materials Project
Li20Ge2P4O24	1	P1	P 1	Triclinic	4.49210 eV	CIF \| POSCAR \| LAMMPS	Materials Project