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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-56519
  • 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: 12
  • Number of elements: 2
  • Element list: ['Li', 'Ca']
  • Chemical System: Ca-Li
  • Density: 1.1116019829694657
  • Atomic Density: 0.03721769984905833
  • Unit Cell Volume: 322.4272335116814
  • Molar Volume: 16.18085154220612
  • Full Formula: Li8 Ca4
  • Reduced Formula: Li2Ca
  • Formula Anonymous: AB2
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm