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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-24272
  • 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: 4
  • Element list: ['Nd', 'Ta', 'Cl', 'O']
  • Chemical System: Cl-Nd-O-Ta
  • Density: 7.134436064866297
  • Atomic Density: 0.06702890642737956
  • Unit Cell Volume: 193.94617476095118
  • Molar Volume: 8.984393571338519
  • Full Formula: Nd2 Ta2 Cl2 O7
  • Reduced Formula: Nd2Ta2Cl2O7
  • Formula Anonymous: A2B2C2D7
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m