Detail information of YbKP4(H4O9)2

Structure

Basic information

Pretty formulaYbKP4(H4O9)2
Full formulaYb2K2P8H16O36
TagsPotassium ytterbium cyclo-tetraphosphate(V) hexahydrate
Constituent elementsH; K; O; P; Yb;
Number of elements5
Number of sites64
Volume785.48266 Å3
Density2.67251 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a7.408 Å b7.408 Å c15.134 Å
α89.877° β90.123° γ71.035°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-375.09694 eV -5.86089 eV -1.91200 eV 0.00000 eV 10.03665 eV 0.18690 eV