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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-69047
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Li', 'Ni']
  • Chemical System: Ba-Li-Ni
  • Density: 5.449025815625035
  • Atomic Density: 0.05016502732288169
  • Unit Cell Volume: 79.73682490501679
  • Molar Volume: 12.004659583337117
  • Full Formula: Ba1 Li1 Ni2
  • Reduced Formula: BaLiNi2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm