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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-71951
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Sc', 'Be', 'Pd']
  • Chemical System: Be-Pd-Sc
  • Density: 4.46241938759795
  • Atomic Density: 0.06268379266838497
  • Unit Cell Volume: 79.76543516521754
  • Molar Volume: 9.607173566951877
  • Full Formula: Sc2 Be2 Pd1
  • Reduced Formula: Sc2Be2Pd
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm