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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-113015
  • 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: 28
  • Number of elements: 4
  • Element list: ['La', 'Ta', 'Cl', 'O']
  • Chemical System: Cl-La-O-Ta
  • Density: 5.041549310017868
  • Atomic Density: 0.048611922496823196
  • Unit Cell Volume: 575.9903859352571
  • Molar Volume: 12.388197073245866
  • Full Formula: La6 Ta2 Cl12 O8
  • Reduced Formula: La3Ta(Cl3O2)2
  • Formula Anonymous: AB3C4D6
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m