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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-564386
  • Created at: Sept. 4, 2022, 3:25 p.m.
  • Last updated at: Sept. 4, 2022, 3:25 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Ca', 'Li', 'Sc']
  • Chemical System: Ca-Li-Sc
  • Density: 0.9236644033874897
  • Atomic Density: 0.018143329305245138
  • Unit Cell Volume: 165.35002752403972
  • Molar Volume: 33.192038013988046
  • Full Formula: Li1 Ca1 Sc1
  • Reduced Formula: LiCaSc
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m