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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98247
  • 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: 10
  • Number of elements: 4
  • Element list: ['La', 'C', 'N', 'F']
  • Chemical System: C-F-La-N
  • Density: 4.953838588661174
  • Atomic Density: 0.07536254934364901
  • Unit Cell Volume: 132.69190184106643
  • Molar Volume: 7.990893105990052
  • Full Formula: La2 C2 N4 F2
  • Reduced Formula: LaCN2F
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm