Detail information of NaH3C4S4(OF)12

Structure

Basic information

Pretty formulaNaH3C4S4(OF)12
Full formulaNa4H12C16S16O48F48
TagsSodium trifluoromethanesulfonate - trifluoromethanesulfonic acid (1/3)
Constituent elementsC; F; H; Na; O; S;
Number of elements6
Number of sites144
Volume2,265.91231 Å3
Density1.82414 g/cm3
Source Materials Project

Space group

Spacegroup Number199
Hermann MauguinI213
HallI 2b 2c 3
Crystal SystemCubic

Lattice Parameters

a14.331 Å b14.331 Å c14.331 Å
α109.471° β109.471° γ109.471°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-787.04748 eV -5.46561 eV -1.79086 eV 6.29570 eV 0.00000 eV 0.16878 eV