Detail information of BaSiP4(HO7)2

Structure

Basic information

Pretty formulaBaSiP4(HO7)2
Full formulaBa1Si1P4H2O14
TagsBarium dihydrogen silicon bis(diphosphate(V))
Constituent elementsBa; H; O; P; Si;
Number of elements5
Number of sites22
Volume265.15196 Å3
Density3.22721 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a4.661 Å b6.678 Å c9.093 Å
α75.256° β85.492° γ75.702°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-154.23978 eV -7.01090 eV -2.70555 eV 5.74830 eV -0.00006 eV 0.00000 eV