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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-115546
  • 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: 3
  • Number of elements: 3
  • Element list: ['Ba', 'In', 'Br']
  • Chemical System: Ba-Br-In
  • Density: 3.761861404050427
  • Atomic Density: 0.02046787573758554
  • Unit Cell Volume: 146.57114585130319
  • Molar Volume: 29.422402389034595
  • Full Formula: Ba1 In1 Br1
  • Reduced Formula: BaInBr
  • Formula Anonymous: ABC
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m