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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-115707
  • 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', 'P', 'Br']
  • Chemical System: Br-Li-P
  • Density: 2.624935154384673
  • Atomic Density: 0.040250963571590526
  • Unit Cell Volume: 74.53237721040362
  • Molar Volume: 14.961482224615558
  • Full Formula: Li1 P1 Br1
  • Reduced Formula: LiPBr
  • Formula Anonymous: ABC
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm