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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-71821
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ta', 'Be', 'Cl']
  • Chemical System: Be-Cl-Ta
  • Density: 6.593327501870827
  • Atomic Density: 0.0677502911022105
  • Unit Cell Volume: 59.04033672660473
  • Molar Volume: 8.888730457135283
  • Full Formula: Ta1 Be2 Cl1
  • Reduced Formula: TaBe2Cl
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm