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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98645
  • 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: 52
  • Number of elements: 4
  • Element list: ['Mn', 'H', 'O', 'F']
  • Chemical System: F-H-Mn-O
  • Density: 2.2154480481035104
  • Atomic Density: 0.10449666590592653
  • Unit Cell Volume: 497.6235322839216
  • Molar Volume: 5.762997994042654
  • Full Formula: Mn4 H24 O12 F12
  • Reduced Formula: MnH6(OF)3
  • Formula Anonymous: AB3C3D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m