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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-115565
  • 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', 'Y', 'Cl']
  • Chemical System: Ba-Cl-Y
  • Density: 3.672797863370107
  • Atomic Density: 0.02535647883584716
  • Unit Cell Volume: 118.31295738739625
  • Molar Volume: 23.749909437292736
  • Full Formula: Ba1 Y1 Cl1
  • Reduced Formula: BaYCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m