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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-109645
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ca', 'Ni', 'H']
  • Chemical System: Ca-H-Ni
  • Density: 3.913104390429599
  • Atomic Density: 0.11574838904952853
  • Unit Cell Volume: 43.1971454726727
  • Molar Volume: 5.202785809332634
  • Full Formula: Ca1 Ni1 H3
  • Reduced Formula: CaNiH3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m