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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117307
  • 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: 13
  • Number of elements: 3
  • Element list: ['Tc', 'Cl', 'O']
  • Chemical System: Cl-O-Tc
  • Density: 2.502075107342663
  • Atomic Density: 0.04816205927754655
  • Unit Cell Volume: 269.92201319889745
  • Molar Volume: 12.50391044389491
  • Full Formula: Tc1 Cl6 O6
  • Reduced Formula: Tc(ClO)6
  • Formula Anonymous: AB6C6
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1