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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-113116
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 13
  • Number of elements: 5
  • Element list: ['Ba', 'Sr', 'Nd', 'Cu', 'O']
  • Chemical System: Ba-Cu-Nd-O-Sr
  • Density: 6.374503550705321
  • Atomic Density: 0.07428239257725902
  • Unit Cell Volume: 175.00782552849338
  • Molar Volume: 8.10709045718545
  • Full Formula: Ba1 Sr1 Nd1 Cu3 O7
  • Reduced Formula: BaSrNdCu3O7
  • Formula Anonymous: ABCD3E7
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2