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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-67126
  • 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: 3
  • Number of elements: 3
  • Element list: ['Be', 'Ni', 'Br']
  • Chemical System: Be-Br-Ni
  • Density: 5.332394403380187
  • Atomic Density: 0.06526492913465957
  • Unit Cell Volume: 45.96649440636289
  • Molar Volume: 9.227223318629
  • Full Formula: Be1 Ni1 Br1
  • Reduced Formula: BeNiBr
  • Formula Anonymous: ABC
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm