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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-34376
  • 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: 15
  • Number of elements: 4
  • Element list: ['Ba', 'Ta', 'Cd', 'O']
  • Chemical System: Ba-Cd-O-Ta
  • Density: 7.665544856971918
  • Atomic Density: 0.06720923108893939
  • Unit Cell Volume: 223.18362756077636
  • Molar Volume: 8.960288136656072
  • Full Formula: Ba3 Ta2 Cd1 O9
  • Reduced Formula: Ba3Ta2CdO9
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1