Detail information of Ca2H2S2O9

Structure

Basic information

Pretty formulaCa2H2S2O9
Full formulaCa6H6S6O27
TagsBassanite;
Calcium sulfate hemihydrate;
Calcium sulfate(VI) hemihydrate
Constituent elementsCa; H; O; S;
Number of elements4
Number of sites45
Volume549.03268 Å3
Density2.63399 g/cm3
Source Materials Project

Space group

Spacegroup Number5
Hermann MauguinC2
HallC 2y
Crystal SystemMonoclinic

Lattice Parameters

a9.553 Å b9.468 Å c9.553 Å
α100.206° β136.744° γ95.565°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-278.84070 eV -6.19646 eV -2.40768 eV 5.73410 eV -0.00008 eV 0.02044 eV