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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119224
  • 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: 28
  • Number of elements: 3
  • Element list: ['Ca', 'Hf', 'N']
  • Chemical System: Ca-Hf-N
  • Density: 3.751992932206618
  • Atomic Density: 0.058247887509182784
  • Unit Cell Volume: 480.7041284645009
  • Molar Volume: 10.338814019736953
  • Full Formula: Ca14 Hf2 N12
  • Reduced Formula: Ca7HfN6
  • Formula Anonymous: AB6C7
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm