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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-88375
  • 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: 40
  • Number of elements: 4
  • Element list: ['Ba', 'Ca', 'Ga', 'F']
  • Chemical System: Ba-Ca-F-Ga
  • Density: 4.440618810092762
  • Atomic Density: 0.07035213905103875
  • Unit Cell Volume: 568.5683554124912
  • Molar Volume: 8.559996669939325
  • Full Formula: Ba4 Ca4 Ga4 F28
  • Reduced Formula: BaCaGaF7
  • Formula Anonymous: ABCD7
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m