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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21243
  • 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: 20
  • Number of elements: 3
  • Element list: ['Na', 'Ta', 'O']
  • Chemical System: Na-O-Ta
  • Density: 6.9629526474634
  • Atomic Density: 0.08321936136235851
  • Unit Cell Volume: 240.32868881214858
  • Molar Volume: 7.236465963464981
  • Full Formula: Na4 Ta4 O12
  • Reduced Formula: NaTaO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm