Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Sr2P4H12O18	2	P-1	-P 1	Triclinic	5.33850 eV	CIF | POSCAR | LAMMPS	Materials Project
Sn4H12S16N16Cl20O4	14	P21/c	-P 2ybc	Monoclinic	1.84070 eV	CIF | POSCAR | LAMMPS	Materials Project
Li6P22H102N34	2	P-1	-P 1	Triclinic	1.96680 eV	CIF | POSCAR | LAMMPS	Materials Project
Na1Cu2H2Se2O10	12	C2/m	-C 2y	Monoclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Zn4P2H2O10	2	P-1	-P 1	Triclinic	3.23510 eV	CIF | POSCAR | LAMMPS	Materials Project
Al4H44S4O40	14	P21/c	-P 2ybc	Monoclinic	5.39410 eV	CIF | POSCAR | LAMMPS	Materials Project
K4U2P4H8O20	4	P21	P 2yb	Monoclinic	0.00690 eV	CIF | POSCAR | LAMMPS	Materials Project
Re20H20C80O80	2	P-1	-P 1	Triclinic	2.91310 eV	CIF | POSCAR | LAMMPS	Materials Project
Li66Be24H35	1	P1	P 1	Triclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
K8Tc4H12C16O42	2	P-1	-P 1	Triclinic	0.50760 eV	CIF | POSCAR | LAMMPS	Materials Project
K1Al1P4H4O14	2	P-1	-P 1	Triclinic	5.65300 eV	CIF | POSCAR | LAMMPS	Materials Project
Si4H40C8N16O8F24	61	Pbca	-P 2ac 2ab	Orthorhombic	5.50530 eV	CIF | POSCAR | LAMMPS	Materials Project
Mg2Cd2H8N8O20	15	C2/c	-C 2yc	Monoclinic	2.56410 eV	CIF | POSCAR | LAMMPS	Materials Project
Yb12Cl26	2	P-1	-P 1	Triclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca4Hg4H64Br16O32	64	Cmca	-C 2bc 2	Orthorhombic	2.89660 eV	CIF | POSCAR | LAMMPS	Materials Project
Ba12As8H56S32O28	14	P21/c	-P 2ybc	Monoclinic	1.97660 eV	CIF | POSCAR | LAMMPS	Materials Project
Pr8P12H20O40	14	P21/c	-P 2ybc	Monoclinic	5.66530 eV	CIF | POSCAR | LAMMPS	Materials Project
K8P8H14Ru4O36	14	P21/c	-P 2ybc	Monoclinic	0.45350 eV	CIF | POSCAR | LAMMPS	Materials Project
Ce4P8H8O32	19	P212121	P 2ac 2ab	Orthorhombic	0.68520 eV	CIF | POSCAR | LAMMPS	Materials Project
P4H12N4F20	14	P21/c	-P 2ybc	Monoclinic	7.06550 eV	CIF | POSCAR | LAMMPS	Materials Project