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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120549
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 24
  • Number of elements: 5
  • Element list: ['Ba', 'Fe', 'Co', 'Cl', 'F']
  • Chemical System: Ba-Cl-Co-F-Fe
  • Density: 4.970335388573427
  • Atomic Density: 0.06438455653677987
  • Unit Cell Volume: 372.7601973353646
  • Molar Volume: 9.353393241995594
  • Full Formula: Ba4 Fe2 Co2 Cl2 F14
  • Reduced Formula: Ba2FeCoClF7
  • Formula Anonymous: ABCD2E7
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m