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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1601114
  • Created at: Sept. 4, 2022, 3:58 p.m.
  • Last updated at: Sept. 4, 2022, 3:58 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 70
  • Number of elements: 4
  • Element list: ['Ba', 'S', 'Sn', 'Te']
  • Chemical System: Ba-S-Sn-Te
  • Density: 4.834613861896161
  • Atomic Density: 0.025826561222032994
  • Unit Cell Volume: 2710.3879373720897
  • Molar Volume: 23.317625247229696
  • Full Formula: Ba20 Sn10 Te28 S12
  • Reduced Formula: Ba10Sn5(Te7S3)2
  • Formula Anonymous: A5B6C10D14
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m