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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-90840
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Sc', 'Fe', 'C']
  • Chemical System: C-Fe-Sc
  • Density: 5.0599427652701685
  • Atomic Density: 0.09764820757536027
  • Unit Cell Volume: 81.92674703041506
  • Molar Volume: 6.167180032825893
  • Full Formula: Sc2 Fe2 C4
  • Reduced Formula: ScFeC2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm