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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91525
  • 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: 8
  • Number of elements: 3
  • Element list: ['Ba', 'Mg', 'Si']
  • Chemical System: Ba-Mg-Si
  • Density: 2.8715536424236126
  • Atomic Density: 0.043394505369086
  • Unit Cell Volume: 184.3551374063859
  • Molar Volume: 13.877657341129964
  • Full Formula: Ba1 Mg4 Si3
  • Reduced Formula: BaMg4Si3
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm