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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12110
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Hf', 'N', 'Cl']
  • Chemical System: Cl-Hf-N
  • Density: 7.387376084472201
  • Atomic Density: 0.05854952032372486
  • Unit Cell Volume: 102.4773553536482
  • Molar Volume: 10.285550977536817
  • Full Formula: Hf2 N2 Cl2
  • Reduced Formula: HfNCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m