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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-8128
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Ba', 'Se']
  • Chemical System: Ba-Se
  • Density: 5.395695245494705
  • Atomic Density: 0.034733328107342705
  • Unit Cell Volume: 230.3263302404005
  • Molar Volume: 17.338219768024207
  • Full Formula: Ba2 Se6
  • Reduced Formula: BaSe3
  • Formula Anonymous: AB3
  • Spacegroup Number: 113
  • Spacegroup Symbol: P-42_1m
  • Crystal System: tetragonal
  • Pointgroup: -42m