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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1340941
  • Created at: Sept. 4, 2022, 3:46 p.m.
  • Last updated at: Sept. 4, 2022, 3:46 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 74
  • Number of elements: 2
  • Element list: ['Ca', 'Li']
  • Chemical System: Ca-Li
  • Density: 1.207605874013165
  • Atomic Density: 0.03733380294583465
  • Unit Cell Volume: 1982.1179242672413
  • Molar Volume: 16.1305312741302
  • Full Formula: Li46 Ca28
  • Reduced Formula: Li23Ca14
  • Formula Anonymous: A14B23
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm