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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-74500
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ca', 'Be', 'Fe']
  • Chemical System: Be-Ca-Fe
  • Density: 3.270859608760131
  • Atomic Density: 0.06914623133171945
  • Unit Cell Volume: 57.84841665210292
  • Molar Volume: 8.709282695552293
  • Full Formula: Ca1 Be2 Fe1
  • Reduced Formula: CaBe2Fe
  • Formula Anonymous: ABC2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2