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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-40092
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ca', 'Nd', 'Zn']
  • Chemical System: Ca-Nd-Zn
  • Density: 5.357909246410027
  • Atomic Density: 0.04095486253303273
  • Unit Cell Volume: 97.66850021224568
  • Molar Volume: 14.704336402405835
  • Full Formula: Ca1 Nd1 Zn2
  • Reduced Formula: CaNdZn2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m