Detail information of Ca2Y2Si4H2CO16

Structure

Basic information

Pretty formulaCa2Y2Si4H2CO16
Full formulaCa8Y8Si16H8C4O64
TagsYttrium alumosilicate carbonate *;
Kainosite-(Y)
Constituent elementsC; Ca; H; O; Si; Y;
Number of elements6
Number of sites108
Volume1,293.37678 Å3
Density3.28841 g/cm3
Source Materials Project

Space group

Spacegroup Number62
Hermann MauguinPnma
Hall-P 2ac 2n
Crystal SystemOrthorhombic

Lattice Parameters

a13.125 Å b14.435 Å c6.827 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-829.68822 eV -7.68230 eV -3.16111 eV 5.12780 eV 0.00080 eV 0.00119 eV