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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-65495
  • 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', 'Tl']
  • Chemical System: Ba-Ta-Tl
  • Density: 10.667203946367772
  • Atomic Density: 0.03652009688651856
  • Unit Cell Volume: 109.52873461506628
  • Molar Volume: 16.48993642791534
  • Full Formula: Ba1 Ta2 Tl1
  • Reduced Formula: BaTa2Tl
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm