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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-48445
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Mn', 'O', 'F']
  • Chemical System: F-Mn-O
  • Density: 4.576191357760258
  • Atomic Density: 0.0919270871255921
  • Unit Cell Volume: 130.53823824098146
  • Molar Volume: 6.55099704374671
  • Full Formula: Mn4 O4 F4
  • Reduced Formula: MnOF
  • Formula Anonymous: ABC
  • Spacegroup Number: 92
  • Spacegroup Symbol: P4_12_12
  • Crystal System: tetragonal
  • Pointgroup: 422