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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119962
  • 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: 2
  • Element list: ['Ba', 'Se']
  • Chemical System: Ba-Se
  • Density: 3.679429448746125
  • Atomic Density: 0.018798499548515372
  • Unit Cell Volume: 159.5872049392861
  • Molar Volume: 32.03522038797827
  • Full Formula: Ba2 Se1
  • Reduced Formula: Ba2Se
  • Formula Anonymous: AB2
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm