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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-70176
  • 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: 4
  • Number of elements: 3
  • Element list: ['Be', 'P', 'Br']
  • Chemical System: Be-Br-P
  • Density: 3.0594942116058204
  • Atomic Density: 0.0571742464606446
  • Unit Cell Volume: 69.96156919625282
  • Molar Volume: 10.532960437257865
  • Full Formula: Be2 P1 Br1
  • Reduced Formula: Be2PBr
  • Formula Anonymous: ABC2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2