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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-19360
  • 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: 4
  • Element list: ['Ca', 'Ti', 'Sb', 'O']
  • Chemical System: Ca-O-Sb-Ti
  • Density: 4.6426511594745685
  • Atomic Density: 0.08085704004227837
  • Unit Cell Volume: 247.35013784257302
  • Molar Volume: 7.447886735466887
  • Full Formula: Ca4 Ti2 Sb2 O12
  • Reduced Formula: Ca2TiSbO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m