Structure

Basic information

Pretty formulaNaH4CSNO2
Full formulaNa4H16C4S4N4O8
TagsSodium thiocyanate dihydrate - alpha
Constituent elementsC; H; N; Na; O; S;
Number of elements6
Number of sites40
Volume510.50227 Å3
Density1.52363 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a9.218 Å b9.218 Å c6.430 Å
α77.337° β102.663° γ82.249°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-216.18519 eV -5.40463 eV -1.00022 eV 3.99440 eV 0.00000 eV 0.12487 eV