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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-69101
  • 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', 'Ta', 'P']
  • Chemical System: Ba-P-Ta
  • Density: 10.0600152744509
  • Atomic Density: 0.045705941504783756
  • Unit Cell Volume: 87.51597425427381
  • Molar Volume: 13.175837892694323
  • Full Formula: Ba1 Ta2 P1
  • Reduced Formula: BaTa2P
  • Formula Anonymous: ABC2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm