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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112496
  • 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: 24
  • Number of elements: 3
  • Element list: ['Na', 'Ti', 'F']
  • Chemical System: F-Na-Ti
  • Density: 3.0561859906440096
  • Atomic Density: 0.07519809742435192
  • Unit Cell Volume: 319.1570109090009
  • Molar Volume: 8.008368517645247
  • Full Formula: Na4 Ti4 F16
  • Reduced Formula: NaTiF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m