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  1. Third-Parties
  2. MatprojStructure
  3. mp-29108

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-29108
  • 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: 30
  • Number of elements: 3
  • Element list: ['Mn', 'As', 'F']
  • Chemical System: As-F-Mn
  • Density: 3.1233681717597763
  • Atomic Density: 0.06519527762586794
  • Unit Cell Volume: 460.1560280509751
  • Molar Volume: 9.237081241618268
  • Full Formula: Mn2 As4 F24
  • Reduced Formula: MnAs2F12
  • Formula Anonymous: AB2C12
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -159.29893678000002
  • Final energy per atom: -5.309964559333334
  • 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.