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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98900
  • 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: 20
  • Number of elements: 4
  • Element list: ['Ba', 'Ca', 'C', 'O']
  • Chemical System: Ba-C-Ca-O
  • Density: 3.6834831889044133
  • Atomic Density: 0.07458222523068785
  • Unit Cell Volume: 268.1604087051392
  • Molar Volume: 8.07449863740739
  • Full Formula: Ba2 Ca2 C4 O12
  • Reduced Formula: BaCa(CO3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m