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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-65746
  • 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: ['Ba', 'P', 'Br']
  • Chemical System: Ba-Br-P
  • Density: 4.188433902332571
  • Atomic Density: 0.03613936798737353
  • Unit Cell Volume: 110.68262182663324
  • Molar Volume: 16.663658208145844
  • Full Formula: Ba1 P2 Br1
  • Reduced Formula: BaP2Br
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm