Catalyst Hub

Full formula	Space group	HM	HALL	Lattice system	Band gap	Structure file	Source
Ca12Al11Si3Cl5O32	1	P1	P 1	Triclinic	4.33060 eV	CIF | POSCAR | LAMMPS	Materials Project
Be4H32N8F16	62	Pnma	-P 2ac 2n	Orthorhombic	6.48320 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca1Er15Si8Se11Cl1O28	8	Cm	C -2y	Monoclinic	2.50230 eV	CIF | POSCAR | LAMMPS	Materials Project
Na6Ca2Sc6Zn2Si16O48	13	P2/c	-P 2yc	Monoclinic	3.74530 eV	CIF | POSCAR | LAMMPS	Materials Project
Na9Zr8Si4P8O46	1	P1	P 1	Triclinic	1.35890 eV	CIF | POSCAR | LAMMPS	Materials Project
Sr8C8N12	194	P63/mmc	-P 6c 2c	Hexagonal	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca2Mg2U2H48C6O46	11	P21/m	-P 2yb	Monoclinic	2.32040 eV	CIF | POSCAR | LAMMPS	Materials Project
Pr20Al1Si19N33Cl2O19	6	Pm	P -2y	Monoclinic	2.83900 eV	CIF | POSCAR | LAMMPS	Materials Project
Na13Ca7S12Cl3O48	1	P1	P 1	Triclinic	5.03700 eV	CIF | POSCAR | LAMMPS	Materials Project
Zn4Ga4P8H16N4O32	1	P1	P 1	Triclinic	3.58020 eV	CIF | POSCAR | LAMMPS	Materials Project
Na8Te4H40O32	15	C2/c	-C 2yc	Monoclinic	4.53940 eV	CIF | POSCAR | LAMMPS	Materials Project
Cu8H96N48O48	58	Pnnm	-P 2 2n	Orthorhombic	0.03870 eV	CIF | POSCAR | LAMMPS	Materials Project
Ca2H16Cl4O8	2	P-1	-P 1	Triclinic	5.13710 eV	CIF | POSCAR | LAMMPS	Materials Project
H64Rh4N20Cl8O32	19	P212121	P 2ac 2ab	Orthorhombic	3.66080 eV	CIF | POSCAR | LAMMPS	Materials Project
Hg6H8S4O22	15	C2/c	-C 2yc	Monoclinic	1.73740 eV	CIF | POSCAR | LAMMPS	Materials Project
H32Au4C8S8N16Cl4O16	54	Pcca	-P 2a 2ac	Orthorhombic	3.32840 eV	CIF | POSCAR | LAMMPS	Materials Project
Li2Ca2P6H16O26	2	P-1	-P 1	Triclinic	5.22370 eV	CIF | POSCAR | LAMMPS	Materials Project
Cu6As4H4Pb2O20	15	C2/c	-C 2yc	Monoclinic	0.00000 eV	CIF | POSCAR | LAMMPS	Materials Project
Ga4P6H22O26	4	P21	P 2yb	Monoclinic	5.23400 eV	CIF | POSCAR | LAMMPS	Materials Project
K4U4P4H24O36	33	Pna21	P 2c -2n	Orthorhombic	2.47310 eV	CIF | POSCAR | LAMMPS	Materials Project