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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-2088
  • 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: 2
  • Element list: ['Ba', 'S']
  • Chemical System: Ba-S
  • Density: 3.8582163998352508
  • Atomic Density: 0.03979877227906192
  • Unit Cell Volume: 201.0112257711223
  • Molar Volume: 15.131473699172975
  • Full Formula: Ba2 S6
  • Reduced Formula: BaS3
  • Formula Anonymous: AB3
  • Spacegroup Number: 113
  • Spacegroup Symbol: P-42_1m
  • Crystal System: tetragonal
  • Pointgroup: -42m