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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-107946
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Li', 'Ca']
  • Chemical System: Ca-Li
  • Density: 1.4589462751923585
  • Atomic Density: 0.027634298670406367
  • Unit Cell Volume: 289.4953150581389
  • Molar Volume: 21.79226920800825
  • Full Formula: Li2 Ca6
  • Reduced Formula: LiCa3
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm