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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-25640
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 26
  • Number of elements: 4
  • Element list: ['Li', 'Ca', 'B', 'O']
  • Chemical System: B-Ca-Li-O
  • Density: 2.3707941459819666
  • Atomic Density: 0.10007760624115822
  • Unit Cell Volume: 259.79838024250387
  • Molar Volume: 6.017470827078312
  • Full Formula: Li8 Ca2 B4 O12
  • Reduced Formula: Li4Ca(BO3)2
  • Formula Anonymous: AB2C4D6
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm