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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212990

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-1212990
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Fe', 'N', 'Cl']
  • Chemical System: Cl-Fe-N
  • Density: 1.6908444842065233
  • Atomic Density: 0.028892977244515047
  • Unit Cell Volume: 346.10486539244994
  • Molar Volume: 20.842922171141865
  • Full Formula: Fe2 N2 Cl6
  • Reduced Formula: FeNCl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -43.16914687
  • Final energy per atom: -4.316914687
  • 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.