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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117463
  • 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: ['Ba', 'B', 'P']
  • Chemical System: B-Ba-P
  • Density: 2.2026247598360897
  • Atomic Density: 0.02221716128800865
  • Unit Cell Volume: 135.0307521789114
  • Molar Volume: 27.105806551669374
  • Full Formula: Ba1 B1 P1
  • Reduced Formula: BaBP
  • Formula Anonymous: ABC
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m