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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-114090
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 2
  • Number of elements: 2
  • Element list: ['Ba', 'Te']
  • Chemical System: Ba-Te
  • Density: 1.0438784157061731
  • Atomic Density: 0.004745747136290985
  • Unit Cell Volume: 421.4299545599241
  • Molar Volume: 126.89552534201334
  • Full Formula: Ba1 Te1
  • Reduced Formula: BaTe
  • Formula Anonymous: AB
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm