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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-64108
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ba', 'Ca', 'Fe']
  • Chemical System: Ba-Ca-Fe
  • Density: 3.9498045865699347
  • Atomic Density: 0.0221188497171132
  • Unit Cell Volume: 271.2618457440778
  • Molar Volume: 27.226283631470725
  • Full Formula: Ba4 Ca1 Fe1
  • Reduced Formula: Ba4CaFe
  • Formula Anonymous: ABC4
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m