Detail information of CaH6C2(NO)4

Structure

Basic information

Pretty formulaCaH6C2(NO)4
Full formulaCa4H24C8N16O16
TagsCalcium bis(hydrazinecarboxylate)
Constituent elementsC; Ca; H; N; O;
Number of elements5
Number of sites68
Volume699.54559 Å3
Density1.80567 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a9.846 Å b9.636 Å c9.431 Å
α90.000° β128.567° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-432.87317 eV -6.36578 eV -1.15220 eV 4.65480 eV 0.00002 eV 0.10162 eV