Detail information of NaLiP2(H4O5)2

Structure

Basic information

Pretty formulaNaLiP2(H4O5)2
Full formulaNa6Li6P12H48O60
TagsTrilithium trisodium cyclo-hexaphosphate(V) dodecahydrate
Constituent elementsH; Li; Na; O; P;
Number of elements5
Number of sites132
Volume1,359.00166 Å3
Density1.90566 g/cm3
Source Materials Project

Space group

Spacegroup Number167
Hermann MauguinR-3c
Hall-R 3 2"c
Crystal SystemHexagonal

Lattice Parameters

a15.279 Å b15.279 Å c15.279 Å
α40.535° β40.535° γ40.535°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-753.09592 eV -5.70527 eV -1.96517 eV 5.12910 eV 0.00000 eV 0.03202 eV