Detail information of KCaCrH10C6O17

Structure

Basic information

Pretty formulaKCaCrH10C6O17
Full formulaK4Ca4Cr4H40C24O68
TagsCalcium potassium tris(oxalato)chromate(III) pentahydrate
Constituent elementsC; Ca; Cr; H; K; O;
Number of elements6
Number of sites144
Volume1,711.14473 Å3
Density1.88381 g/cm3
Source Materials Project

Space group

Spacegroup Number14
Hermann MauguinP21/c
Hall-P 2ybc
Crystal SystemMonoclinic

Lattice Parameters

a11.182 Å b11.319 Å c13.706 Å
α90.000° β99.465° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-926.88396 eV -6.43669 eV -1.70229 eV 3.36530 eV 12.00002 eV 0.05483 eV