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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-64379
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ba', 'Tl', 'Te']
  • Chemical System: Ba-Te-Tl
  • Density: 5.747883718038621
  • Atomic Density: 0.023566258852733113
  • Unit Cell Volume: 254.6012940575057
  • Molar Volume: 25.554080508207512
  • Full Formula: Ba4 Tl1 Te1
  • Reduced Formula: Ba4TlTe
  • Formula Anonymous: ABC4
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m