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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117755
  • 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', 'H', 'Br']
  • Chemical System: Br-Ca-H
  • Density: 2.0733192465234085
  • Atomic Density: 0.03095915333282075
  • Unit Cell Volume: 96.90187479447663
  • Molar Volume: 19.451890997341142
  • Full Formula: Ca1 H1 Br1
  • Reduced Formula: CaHBr
  • Formula Anonymous: ABC
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2