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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-118328
  • 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: 4
  • Number of elements: 3
  • Element list: ['Tc', 'O', 'F']
  • Chemical System: F-O-Tc
  • Density: 5.282331830402017
  • Atomic Density: 0.08371510470725163
  • Unit Cell Volume: 47.781102514150106
  • Molar Volume: 7.193613125205046
  • Full Formula: Tc1 O1 F2
  • Reduced Formula: TcOF2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm