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  1. Third-Parties
  2. MatprojStructure
  3. mp-849629

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-849629
  • 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: 36
  • Number of elements: 3
  • Element list: ['Mn', 'O', 'F']
  • Chemical System: F-Mn-O
  • Density: 4.4807332363466115
  • Atomic Density: 0.09051255179835639
  • Unit Cell Volume: 397.7348918435169
  • Molar Volume: 6.653376399569541
  • Full Formula: Mn12 O14 F10
  • Reduced Formula: Mn6O7F5
  • Formula Anonymous: A5B6C7
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -277.9415393
  • Final energy per atom: -7.720598313888889
  • 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.