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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-90060
  • 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: 9
  • Number of elements: 3
  • Element list: ['Tc', 'N', 'F']
  • Chemical System: F-N-Tc
  • Density: 2.8636623215219634
  • Atomic Density: 0.06466913688074322
  • Unit Cell Volume: 139.16994155337127
  • Molar Volume: 9.312233084393055
  • Full Formula: Tc1 N2 F6
  • Reduced Formula: Tc(NF3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1