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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-53162
  • 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: 18
  • Number of elements: 3
  • Element list: ['Li', 'Ti', 'As']
  • Chemical System: As-Li-Ti
  • Density: 3.1380682434269294
  • Atomic Density: 0.05534026453922946
  • Unit Cell Volume: 325.26046179703764
  • Molar Volume: 10.882023803357573
  • Full Formula: Li10 Ti2 As6
  • Reduced Formula: Li5TiAs3
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m