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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-34639
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 5
  • Element list: ['Ca', 'Bi', 'C', 'O', 'F']
  • Chemical System: Bi-C-Ca-F-O
  • Density: 5.529657627361574
  • Atomic Density: 0.07742808273986429
  • Unit Cell Volume: 206.64337064570384
  • Molar Volume: 7.777721657183004
  • Full Formula: Ca2 Bi2 C2 O8 F2
  • Reduced Formula: CaBiCO4F
  • Formula Anonymous: ABCDE4
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm