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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-69198
  • 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', 'Ca', 'Ta']
  • Chemical System: Ba-Ca-Ta
  • Density: 9.047944873356077
  • Atomic Density: 0.04041381112453879
  • Unit Cell Volume: 98.97606508016878
  • Molar Volume: 14.901194894592425
  • Full Formula: Ba1 Ca1 Ta2
  • Reduced Formula: BaCaTa2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm