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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12559
  • 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: 12
  • Number of elements: 2
  • Element list: ['Ca', 'H']
  • Chemical System: Ca-H
  • Density: 1.9751578642030938
  • Atomic Density: 0.08477250388105735
  • Unit Cell Volume: 141.555332809763
  • Molar Volume: 7.103884495908659
  • Full Formula: Ca4 H8
  • Reduced Formula: CaH2
  • Formula Anonymous: AB2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm