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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-8261
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Ca', 'Fe', 'N']
  • Chemical System: Ca-Fe-N
  • Density: 3.2999352566417124
  • Atomic Density: 0.06211271911425709
  • Unit Cell Volume: 144.8978587371838
  • Molar Volume: 9.695503345976853
  • Full Formula: Ca3 Fe2 N4
  • Reduced Formula: Ca3(FeN2)2
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2