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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-100524
  • 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: 9
  • Number of elements: 3
  • Element list: ['Nd', 'Ta', 'O']
  • Chemical System: Nd-O-Ta
  • Density: 7.916689411265927
  • Atomic Density: 0.07125966114244124
  • Unit Cell Volume: 126.29866400865788
  • Molar Volume: 8.450981471778706
  • Full Formula: Nd1 Ta2 O6
  • Reduced Formula: NdTa2O6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm