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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1340402
  • 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: 80
  • Number of elements: 2
  • Element list: ['Ca', 'Ge']
  • Chemical System: Ca-Ge
  • Density: 2.667485189594933
  • Atomic Density: 0.03222681445175265
  • Unit Cell Volume: 2482.4048346376107
  • Molar Volume: 18.68673917186527
  • Full Formula: Ca56 Ge24
  • Reduced Formula: Ca7Ge3
  • Formula Anonymous: A3B7
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm