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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-11424
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ca', 'P', 'Ru']
  • Chemical System: Ca-P-Ru
  • Density: 6.200693502054865
  • Atomic Density: 0.061383434586584094
  • Unit Cell Volume: 81.45520096219568
  • Molar Volume: 9.810693716568597
  • Full Formula: Ca1 P2 Ru2
  • Reduced Formula: Ca(PRu)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm