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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201958

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-1201958
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 124
  • Number of elements: 2
  • Element list: ['Mo', 'O']
  • Chemical System: Mo-O
  • Density: 4.05543720255008
  • Atomic Density: 0.06667465349389104
  • Unit Cell Volume: 1859.7771942131099
  • Molar Volume: 9.032129069184844
  • Full Formula: Mo32 O92
  • Reduced Formula: Mo8O23
  • Formula Anonymous: A8B23
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -1041.6070492899998
  • Final energy per atom: -8.400056849112902
  • 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.