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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112539
  • 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: 22
  • Number of elements: 4
  • Element list: ['Ba', 'Sm', 'In', 'S']
  • Chemical System: Ba-In-S-Sm
  • Density: 4.806662056437674
  • Atomic Density: 0.036617873230357575
  • Unit Cell Volume: 600.7995019700156
  • Molar Volume: 16.445905315460596
  • Full Formula: Ba6 Sm2 In2 S12
  • Reduced Formula: Ba3SmInS6
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m