Detail information of Na3YH6(CO4)3

Structure

Basic information

Pretty formulaNa3YH6(CO4)3
Full formulaNa12Y4H24C12O48
TagsTrisodium yttrium carbonate trihydrate;
Shomiokite-(Y)
Constituent elementsC; H; Na; O; Y;
Number of elements5
Number of sites100
Volume1,061.94111 Å3
Density2.45153 g/cm3
Source Materials Project

Space group

Spacegroup Number33
Hermann MauguinPna21
HallP 2c -2n
Crystal SystemOrthorhombic

Lattice Parameters

a17.440 Å b10.210 Å c5.964 Å
α90.000° β90.000° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-636.81803 eV -6.36818 eV -2.03536 eV 4.88900 eV 0.00000 eV 0.00000 eV