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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-34921
  • 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: 3
  • Element list: ['Na', 'Ti', 'Cl']
  • Chemical System: Cl-Na-Ti
  • Density: 2.526980590333934
  • Atomic Density: 0.04520304266384255
  • Unit Cell Volume: 309.7136647219205
  • Molar Volume: 13.322423458934654
  • Full Formula: Na4 Ti2 Cl8
  • Reduced Formula: Na2TiCl4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm