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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-59277
  • 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: 20
  • Number of elements: 5
  • Element list: ['Na', 'Ca', 'Ta', 'Ti', 'O']
  • Chemical System: Ca-Na-O-Ta-Ti
  • Density: 5.533096949839707
  • Atomic Density: 0.08590587386462006
  • Unit Cell Volume: 232.81295096908278
  • Molar Volume: 7.010161807433975
  • Full Formula: Na2 Ca2 Ta2 Ti2 O12
  • Reduced Formula: NaCaTaTiO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m