Detail information of Na6CuP4(H13O15)2

Structure

Basic information

Pretty formulaNa6CuP4(H13O15)2
Full formulaNa6Cu1P4H26O30
TagsHexasodium copper diphosphate 16-hydrate
Constituent elementsCu; H; Na; O; P;
Number of elements5
Number of sites67
Volume897.30417 Å3
Density1.53889 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a7.782 Å b9.296 Å c13.784 Å
α90.718° β93.878° γ115.450°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-326.06402 eV -4.86663 eV -1.21249 eV 0.00000 eV 10.96771 eV 0.53996 eV