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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-37924
  • 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: 8
  • Number of elements: 2
  • Element list: ['Ba', 'Te']
  • Chemical System: Ba-Te
  • Density: 5.469427973062416
  • Atomic Density: 0.024417216426705843
  • Unit Cell Volume: 327.6376741801805
  • Molar Volume: 24.66350240240081
  • Full Formula: Ba6 Te2
  • Reduced Formula: Ba3Te
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm