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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202896

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-1202896
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['Fe', 'Mo', 'H', 'Se', 'O']
  • Chemical System: Fe-H-Mo-O-Se
  • Density: 3.9655823463144704
  • Atomic Density: 0.076420424413607
  • Unit Cell Volume: 575.7623088019072
  • Molar Volume: 7.880276517971983
  • Full Formula: Fe4 Mo4 H4 Se4 O28
  • Reduced Formula: FeMoHSeO7
  • Formula Anonymous: ABCDE7
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -313.72292095
  • Final energy per atom: -7.1300663852272725
  • 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.