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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12350
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Na', 'Nd', 'Ti', 'O']
  • Chemical System: Na-Nd-O-Ti
  • Density: 5.056587200223694
  • Atomic Density: 0.07637518174037689
  • Unit Cell Volume: 183.3056194562047
  • Molar Volume: 7.884944589030424
  • Full Formula: Na2 Nd2 Ti2 O8
  • Reduced Formula: NaNdTiO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm