Detail information of KUP(H2O3)3

Structure

Basic information

Pretty formulaKUP(H2O3)3
Full formulaK4U4P4H24O36
TagsPotassium dioxouranium phosphate(V) tris(dideuteriohydrate) - LT;
Meta-ankoleite low
Constituent elementsH; K; O; P; U;
Number of elements5
Number of sites72
Volume913.49223 Å3
Density3.33124 g/cm3
Source Materials Project

Space group

Spacegroup Number33
Hermann MauguinPna21
HallP 2c -2n
Crystal SystemOrthorhombic

Lattice Parameters

a7.128 Å b7.089 Å c18.079 Å
α90.000° β90.000° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-463.20899 eV -6.43346 eV -2.24813 eV 2.47310 eV 0.00000 eV 0.01976 eV