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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98902
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 34
  • Number of elements: 3
  • Element list: ['Ca', 'P', 'Pd']
  • Chemical System: Ca-P-Pd
  • Density: 5.257571950450048
  • Atomic Density: 0.05252499644279527
  • Unit Cell Volume: 647.3108482173672
  • Molar Volume: 11.465285421882294
  • Full Formula: Ca10 P12 Pd12
  • Reduced Formula: Ca5(PPd)6
  • Formula Anonymous: A5B6C6
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm