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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196303

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-1196303
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Cr', 'Fe', 'N', 'O']
  • Chemical System: Cr-Fe-N-O
  • Density: 2.6163100922024154
  • Atomic Density: 0.06263915173016242
  • Unit Cell Volume: 766.2939020434839
  • Molar Volume: 9.614020295073981
  • Full Formula: Cr8 Fe4 N4 O32
  • Reduced Formula: Cr2FeNO8
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -345.81891245
  • Final energy per atom: -7.204560676041667
  • 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.