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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-74884
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ti', 'Be', 'P']
  • Chemical System: Be-P-Ti
  • Density: 3.4511727629379543
  • Atomic Density: 0.06898145218820001
  • Unit Cell Volume: 86.97990270820019
  • Molar Volume: 8.730086956664778
  • Full Formula: Ti1 Be1 P4
  • Reduced Formula: TiBeP4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m