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  1. Third-Parties
  2. MatprojStructure
  3. mp-638048

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-638048
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 2
  • Element list: ['Mo', 'Se']
  • Chemical System: Mo-Se
  • Density: 5.92939676784113
  • Atomic Density: 0.04123238989176583
  • Unit Cell Volume: 970.1111214993642
  • Molar Volume: 14.605364316276583
  • Full Formula: Mo18 Se22
  • Reduced Formula: Mo9Se11
  • Formula Anonymous: A9B11
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -302.1199616
  • Final energy per atom: -7.55299904
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.