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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-2742
  • 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: ['Th', 'N', 'F']
  • Chemical System: F-N-Th
  • Density: 9.252402452401421
  • Atomic Density: 0.06306814627820509
  • Unit Cell Volume: 95.13518874540733
  • Molar Volume: 9.548624964233513
  • Full Formula: Th2 N2 F2
  • Reduced Formula: ThNF
  • Formula Anonymous: ABC
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m