Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Na4P4H28O24	15	C2/c	-C 2yc	Monoclinic	5.11390 eV	CIF | POSCAR | LAMMPS	Materials Project
P4H20N8O16	19	P212121	P 2ac 2ab	Orthorhombic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
K8P8H8O28	2	P-1	-P 1	Triclinic	4.76060 eV	CIF | POSCAR | LAMMPS	Materials Project
Cu4P4H16O20F4	14	P21/c	-P 2ybc	Monoclinic	0.25040 eV	CIF | POSCAR | LAMMPS	Materials Project
Rb8Te4H24S4O40	14	P21/c	-P 2ybc	Monoclinic	0.03490 eV	CIF | POSCAR | LAMMPS	Materials Project
K8P12H20O44	15	C2/c	-C 2yc	Monoclinic	5.04820 eV	CIF | POSCAR | LAMMPS	Materials Project
Na24Si8H40O48	61	Pbca	-P 2ac 2ab	Orthorhombic	3.86470 eV	CIF | POSCAR | LAMMPS	Materials Project
H32S16	77	P42	P 4c	Tetragonal	4.02990 eV	CIF | POSCAR | LAMMPS	Materials Project
Cd4H8Se4O20	14	P21/c	-P 2ybc	Monoclinic	2.50480 eV	CIF | POSCAR | LAMMPS	Materials Project
B10H16N2O24	15	C2/c	-C 2yc	Monoclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Ba4Si8H24O32	14	P21/c	-P 2ybc	Monoclinic	5.05790 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca12Al14O32	220	I-43d	I -4bd 2c 3	Cubic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Cu8H32C16S16N16Cl8	61	Pbca	-P 2ac 2ab	Orthorhombic	0.99680 eV	CIF | POSCAR | LAMMPS	Materials Project
K2Mg2P2H24O20	31	Pmn21	P 2ac -2	Orthorhombic	4.75320 eV	CIF | POSCAR | LAMMPS	Materials Project
Sr4B24H32O56	14	P21/c	-P 2ybc	Monoclinic	5.26190 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca20P12H4O52	14	P21/c	-P 2ybc	Monoclinic	5.21160 eV	CIF | POSCAR | LAMMPS	Materials Project
Fe2H40S4N4O28	14	P21/c	-P 2ybc	Monoclinic	3.77560 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca2H28I20O14	2	P-1	-P 1	Triclinic	0.67760 eV	CIF | POSCAR | LAMMPS	Materials Project
Sn4H16Cl8O8	14	P21/c	-P 2ybc	Monoclinic	3.82420 eV	CIF | POSCAR | LAMMPS	Materials Project
Cs2Na4H8Cl6O4	1	P1	P 1	Triclinic	4.87490 eV	CIF | POSCAR | LAMMPS	Materials Project