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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119213
  • 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', 'Nd', 'Tl', 'Cu', 'O']
  • Chemical System: Ba-Cu-Nd-O-Tl
  • Density: 7.3142746100707585
  • Atomic Density: 0.06640080385333667
  • Unit Cell Volume: 195.78076236417044
  • Molar Volume: 9.069379300439575
  • Full Formula: Ba2 Nd1 Tl1 Cu2 O7
  • Reduced Formula: Ba2NdTlCu2O7
  • Formula Anonymous: ABC2D2E7
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2