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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211085

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1211085
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Li', 'Ca', 'Fe', 'N']
  • Chemical System: Ca-Fe-Li-N
  • Density: 2.964064505521657
  • Atomic Density: 0.06264796670993651
  • Unit Cell Volume: 191.5465198664891
  • Molar Volume: 9.61266753936778
  • 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

Thermodynamics:

  • Final energy: -70.81582525
  • Final energy per atom: -5.901318770833334
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.