Detail information of AlH18CS2N3O14

Structure

Basic information

Pretty formulaAlH18CS2N3O14
Full formulaAl3H54C3S6N9O42
TagsGuanidinium aluminium bis(sulfate(VI)) hexahydrate
Constituent elementsAl; C; H; N; O; S;
Number of elements6
Number of sites117
Volume1,099.83633 Å3
Density1.75414 g/cm3
Source Materials Project

Space group

Spacegroup Number157
Hermann MauguinP31m
HallP 3 -2
Crystal SystemHexagonal

Lattice Parameters

a11.826 Å b11.826 Å c9.080 Å
α90.000° β90.000° γ120.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-656.93318 eV -5.61481 eV -1.44386 eV 5.28420 eV 0.00000 eV 0.01814 eV