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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-47976
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Fe', 'O', 'F']
  • Chemical System: F-Fe-O
  • Density: 4.474177732761064
  • Atomic Density: 0.08825213488835383
  • Unit Cell Volume: 271.94809542411593
  • Molar Volume: 6.823790458574742
  • Full Formula: Fe8 O6 F10
  • Reduced Formula: Fe4O3F5
  • Formula Anonymous: A3B4C5
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m