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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96634
  • 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', 'Mg', 'Si']
  • Chemical System: Ba-Mg-Si
  • Density: 3.7126450126513504
  • Atomic Density: 0.03535478413824484
  • Unit Cell Volume: 169.7082911477752
  • Molar Volume: 17.033453623849407
  • Full Formula: Ba2 Mg2 Si2
  • Reduced Formula: BaMgSi
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm