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  1. Third-Parties
  2. MatprojStructure
  3. mp-1101095

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-1101095
  • 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: 9
  • Number of elements: 4
  • Element list: ['Cs', 'Mn', 'O', 'F']
  • Chemical System: Cs-F-Mn-O
  • Density: 3.7693189545671104
  • Atomic Density: 0.04731879169761902
  • Unit Cell Volume: 190.19927764666193
  • Molar Volume: 12.726742471539108
  • Full Formula: Cs2 Mn1 O1 F5
  • Reduced Formula: Cs2MnOF5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 35
  • Spacegroup Symbol: Cmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -47.22605084
  • Final energy per atom: -5.247338982222222
  • 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.