Detail information of NaH3(CO2)2

Structure

Basic information

Pretty formulaNaH3(CO2)2
Full formulaNa6H18C12O24
TagsSodium hydrogendiformate)
Constituent elementsC; H; Na; O;
Number of elements4
Number of sites60
Volume735.07888 Å3
Density1.54559 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a9.161 Å b9.432 Å c9.725 Å
α83.236° β111.579° γ109.820°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-364.16335 eV -6.06939 eV -1.42779 eV 4.63760 eV 0.00000 eV 0.12494 eV