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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119665
  • 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: 17
  • Number of elements: 5
  • Element list: ['Ba', 'Ca', 'Cu', 'C', 'O']
  • Chemical System: Ba-C-Ca-Cu-O
  • Density: 5.2290357551470015
  • Atomic Density: 0.06135702760690742
  • Unit Cell Volume: 277.06687665694847
  • Molar Volume: 9.814916065657071
  • Full Formula: Ba4 Ca1 Cu2 C1 O9
  • Reduced Formula: Ba4CaCu2CO9
  • Formula Anonymous: ABC2D4E9
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2