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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-118839
  • 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: 3
  • Number of elements: 3
  • Element list: ['Li', 'Ca', 'As']
  • Chemical System: As-Ca-Li
  • Density: 2.015595574824293
  • Atomic Density: 0.02986257309957399
  • Unit Cell Volume: 100.46019778659988
  • Molar Volume: 20.16618172827816
  • Full Formula: Li1 Ca1 As1
  • Reduced Formula: LiCaAs
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2