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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-75778
  • 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: ['Ti', 'As', 'P']
  • Chemical System: As-P-Ti
  • Density: 4.70463519740801
  • Atomic Density: 0.06134582620783436
  • Unit Cell Volume: 65.20410999842672
  • Molar Volume: 9.816708213526226
  • Full Formula: Ti1 As1 P2
  • Reduced Formula: TiAsP2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m