Detail information of BaZn3P4(H7O9)2

Structure

Basic information

Pretty formulaBaZn3P4(H7O9)2
Full formulaBa2Zn6P8H28O36
TagsHexaaquatrizinc barium tetrakis(hydrogenphosphate(III))
Constituent elementsBa; H; O; P; Zn;
Number of elements5
Number of sites80
Volume907.44676 Å3
Density2.77980 g/cm3
Source Materials Project

Space group

Spacegroup Number15
Hermann MauguinC2/c
Hall-C 2yc
Crystal SystemMonoclinic

Lattice Parameters

a11.764 Å b11.764 Å c15.375 Å
α75.154° β104.846° γ153.763°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-436.15003 eV -5.45188 eV -1.72891 eV 0.00000 eV 4.01933 eV 0.18739 eV