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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-90865
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['Ba', 'Mg', 'C', 'O']
  • Chemical System: Ba-C-Mg-O
  • Density: 3.751657061644015
  • Atomic Density: 0.07239869070430614
  • Unit Cell Volume: 110.49923585875256
  • Molar Volume: 8.318024402673093
  • Full Formula: Ba1 Mg1 C2 O4
  • Reduced Formula: BaMg(CO2)2
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m