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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117630
  • 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: ['Ca', 'Be', 'Br']
  • Chemical System: Be-Br-Ca
  • Density: 2.3030420624131245
  • Atomic Density: 0.032255509355093526
  • Unit Cell Volume: 93.00736711281432
  • Molar Volume: 18.670115215678756
  • Full Formula: Ca1 Be1 Br1
  • Reduced Formula: CaBeBr
  • Formula Anonymous: ABC
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2