Detail information of KAl2NiP3(H2O7)2

Structure

Basic information

Pretty formulaKAl2NiP3(H2O7)2
Full formulaK2Al4Ni2P6H8O28
TagsPotassium nickel phyllodialumotriphosphate dihydrate
Constituent elementsAl; H; K; Ni; O; P;
Number of elements6
Number of sites50
Volume561.77655 Å3
Density2.79448 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a8.338 Å b8.338 Å c8.774 Å
α75.880° β104.120° γ104.514°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-324.94598 eV -6.49892 eV -2.47301 eV 4.53120 eV 4.00000 eV 0.00000 eV