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  1. Third-Parties
  2. MatprojStructure
  3. mp-684782

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-684782
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['Cs', 'Ti', 'Mn', 'O', 'F']
  • Chemical System: Cs-F-Mn-O-Ti
  • Density: 3.7937576688870247
  • Atomic Density: 0.05930710983780144
  • Unit Cell Volume: 303.50492629345894
  • Molar Volume: 10.15416326384797
  • Full Formula: Cs2 Ti2 Mn2 O2 F10
  • Reduced Formula: CsTiMnOF5
  • Formula Anonymous: ABCDE5
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -124.85524637
  • Final energy per atom: -6.936402576111111
  • 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.