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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1416642
  • Created at: Sept. 4, 2022, 3:48 p.m.
  • Last updated at: Sept. 4, 2022, 3:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 3
  • Number of elements: 2
  • Element list: ['Ca', 'Li']
  • Chemical System: Ca-Li
  • Density: 0.9228661081151003
  • Atomic Density: 0.030898607900054356
  • Unit Cell Volume: 97.09175279688644
  • Molar Volume: 19.490006732599127
  • Full Formula: Li2 Ca1
  • Reduced Formula: Li2Ca
  • Formula Anonymous: AB2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m