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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196295

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-1196295
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Mo', 'N', 'O', 'F']
  • Chemical System: F-Mo-N-O
  • Density: 2.6462096175709386
  • Atomic Density: 0.05678485492396821
  • Unit Cell Volume: 986.1784462596746
  • Molar Volume: 10.6051882461676
  • Full Formula: Mo8 N12 O16 F20
  • Reduced Formula: Mo2N3O4F5
  • Formula Anonymous: A2B3C4D5
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -333.33249751
  • Final energy per atom: -5.9523660269642855
  • 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.