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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-115580
  • 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: 3
  • Number of elements: 3
  • Element list: ['Ba', 'Zn', 'F']
  • Chemical System: Ba-F-Zn
  • Density: 4.191455481256326
  • Atomic Density: 0.034151039994485724
  • Unit Cell Volume: 87.84505539170702
  • Molar Volume: 17.633842954628555
  • Full Formula: Ba1 Zn1 F1
  • Reduced Formula: BaZnF
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2