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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10020
  • 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: 10
  • Number of elements: 3
  • Element list: ['Ba', 'Se', 'O']
  • Chemical System: Ba-O-Se
  • Density: 4.948511169662862
  • Atomic Density: 0.056379681545619016
  • Unit Cell Volume: 177.36886278629663
  • Molar Volume: 10.681402581402041
  • Full Formula: Ba2 Se2 O6
  • Reduced Formula: BaSeO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m