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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-19957
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 2
  • Element list: ['Ca', 'Al']
  • Chemical System: Al-Ca
  • Density: 2.296631241217358
  • Atomic Density: 0.0467238121432219
  • Unit Cell Volume: 107.01181625920343
  • Molar Volume: 12.888804409923594
  • Full Formula: Ca1 Al4
  • Reduced Formula: CaAl4
  • Formula Anonymous: AB4
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm