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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-99756
  • 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: 4
  • Number of elements: 2
  • Element list: ['Ca', 'Nd']
  • Chemical System: Ca-Nd
  • Density: 2.8961632036538574
  • Atomic Density: 0.026378351884274336
  • Unit Cell Volume: 151.6394965670555
  • Molar Volume: 22.82985982755862
  • Full Formula: Ca3 Nd1
  • Reduced Formula: Ca3Nd
  • Formula Anonymous: AB3
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m