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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-12218
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ca', 'Mn', 'Si']
  • Chemical System: Ca-Mn-Si
  • Density: 3.5805314259509746
  • Atomic Density: 0.05254799421924026
  • Unit Cell Volume: 114.18133249704746
  • Molar Volume: 11.460267607693035
  • Full Formula: Ca2 Mn2 Si2
  • Reduced Formula: CaMnSi
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm