Detail information of Ca3SiH30CSO25

Structure

Basic information

Pretty formulaCa3SiH30CSO25
Full formulaCa6Si2H60C2S2O50
TagsDodecaaquahexahydroxotricalciumsilicon sulfate(VI) carbonate;
Thaumasite
Constituent elementsC; Ca; H; O; S; Si;
Number of elements6
Number of sites122
Volume1,123.25730 Å3
Density1.84086 g/cm3
Source Materials Project

Space group

Spacegroup Number173
Hermann MauguinP63
HallP 6c
Crystal SystemHexagonal

Lattice Parameters

a11.136 Å b11.136 Å c10.459 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
-672.41926 eV -5.51163 eV -1.77724 eV 4.48310 eV 0.00000 eV 0.01880 eV