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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57813
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Ta', 'Bi', 'Cl', 'O']
  • Chemical System: Bi-Cl-O-Ta
  • Density: 9.092279603284583
  • Atomic Density: 0.06494605983268031
  • Unit Cell Volume: 215.56350048129198
  • Molar Volume: 9.2725267329762
  • Full Formula: Ta1 Bi4 Cl1 O8
  • Reduced Formula: TaBi4ClO8
  • Formula Anonymous: ABC4D8
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm