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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-93850
  • 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: ['Al', 'N', 'F']
  • Chemical System: Al-F-N
  • Density: 2.446266792094302
  • Atomic Density: 0.07555922283991066
  • Unit Cell Volume: 79.4079104375168
  • Molar Volume: 7.970093568536656
  • Full Formula: Al1 N1 F4
  • Reduced Formula: AlNF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm