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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117037
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 15
  • Number of elements: 5
  • Element list: ['Ba', 'Mg', 'Ta', 'Nb', 'O']
  • Chemical System: Ba-Mg-Nb-O-Ta
  • Density: 6.743075981340067
  • Atomic Density: 0.07131383104250924
  • Unit Cell Volume: 210.33787949295132
  • Molar Volume: 8.444562116443135
  • Full Formula: Ba3 Mg1 Ta1 Nb1 O9
  • Reduced Formula: Ba3MgTaNbO9
  • Formula Anonymous: ABCD3E9
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1