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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119637
  • 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: 12
  • Number of elements: 4
  • Element list: ['Li', 'Ca', 'Fe', 'N']
  • Chemical System: Ca-Fe-Li-N
  • Density: 3.1117473569968297
  • Atomic Density: 0.0657693665126769
  • Unit Cell Volume: 182.45576377396043
  • Molar Volume: 9.156452432667487
  • Full Formula: Li2 Ca4 Fe2 N4
  • Reduced Formula: LiCa2FeN2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm