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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-15327
  • 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: 7
  • Number of elements: 3
  • Element list: ['Nd', 'Cu', 'O']
  • Chemical System: Cu-Nd-O
  • Density: 7.130345367919522
  • Atomic Density: 0.07224991909552428
  • Unit Cell Volume: 96.88592164020339
  • Molar Volume: 8.335152253994785
  • Full Formula: Nd2 Cu1 O4
  • Reduced Formula: Nd2CuO4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm