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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98350
  • 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: 14
  • Number of elements: 5
  • Element list: ['Ba', 'Nd', 'Nb', 'Cu', 'O']
  • Chemical System: Ba-Cu-Nb-Nd-O
  • Density: 6.610767744094224
  • Atomic Density: 0.07267716880506482
  • Unit Cell Volume: 192.63271024702257
  • Molar Volume: 8.286152114913316
  • Full Formula: Ba2 Nd1 Nb1 Cu2 O8
  • Reduced Formula: Ba2NdNb(CuO4)2
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm