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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91722
  • 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: 8
  • Number of elements: 3
  • Element list: ['Ba', 'Te', 'O']
  • Chemical System: Ba-O-Te
  • Density: 5.325110964382788
  • Atomic Density: 0.03066903250633679
  • Unit Cell Volume: 260.84944147967667
  • Molar Volume: 19.63590067197494
  • Full Formula: Ba4 Te2 O2
  • Reduced Formula: Ba2TeO
  • Formula Anonymous: ABC2
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm