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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-46862
  • 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: 12
  • Number of elements: 3
  • Element list: ['Nb', 'Cr', 'O']
  • Chemical System: Cr-Nb-O
  • Density: 5.187606318036114
  • Atomic Density: 0.0897285308808159
  • Unit Cell Volume: 133.7367265707191
  • Molar Volume: 6.711511601587522
  • Full Formula: Nb2 Cr2 O8
  • Reduced Formula: NbCrO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 109
  • Spacegroup Symbol: I4_1md
  • Crystal System: tetragonal
  • Pointgroup: 4mm