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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-51245
  • 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: ['Ba', 'Si', 'Tc']
  • Chemical System: Ba-Si-Tc
  • Density: 7.609447687860611
  • Atomic Density: 0.0507178529774032
  • Unit Cell Volume: 78.86769185166725
  • Molar Volume: 11.87380854367613
  • Full Formula: Ba1 Si1 Tc2
  • Reduced Formula: BaSiTc2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m