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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-3231
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ba', 'Li', 'P']
  • Chemical System: Ba-Li-P
  • Density: 3.788302043233062
  • Atomic Density: 0.03905522501017028
  • Unit Cell Volume: 153.6286117526542
  • Molar Volume: 15.419552078964566
  • Full Formula: Ba2 Li2 P2
  • Reduced Formula: BaLiP
  • Formula Anonymous: ABC
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm