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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-105892
  • 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: 10
  • Number of elements: 4
  • Element list: ['Ba', 'Nd', 'Ta', 'O']
  • Chemical System: Ba-Nd-O-Ta
  • Density: 7.156771108360714
  • Atomic Density: 0.061938183596591395
  • Unit Cell Volume: 161.45129578114273
  • Molar Volume: 9.722824290784356
  • Full Formula: Ba2 Nd1 Ta1 O6
  • Reduced Formula: Ba2NdTaO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m