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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-68598
  • 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: ['Ca', 'Be', 'Br']
  • Chemical System: Be-Br-Ca
  • Density: 2.582924907986322
  • Atomic Density: 0.03680022861189326
  • Unit Cell Volume: 108.69497693031347
  • Molar Volume: 16.364411274482514
  • Full Formula: Ca2 Be1 Br1
  • Reduced Formula: Ca2BeBr
  • Formula Anonymous: ABC2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2