Structure

Basic information

Pretty formulaMo15Se19
Full formulaMo30Se38
TagsMolybdenum selenide (15/19) - beta
Constituent elementsMo; Se;
Number of elements2
Number of sites68
Volume1,512.30129 Å3
Density6.45492 g/cm3
Source Materials Project

Space group

Spacegroup Number15
Hermann MauguinC2/c
Hall-C 2yc
Crystal SystemMonoclinic

Lattice Parameters

a42.251 Å b12.139 Å c21.730 Å
α142.427° β166.448° γ35.386°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-460.04951 eV -6.76543 eV -0.02323 eV 0.03580 eV 0.00002 eV 0.53838 eV