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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246722

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-1246722
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 3
  • Element list: ['Mn', 'Cr', 'N']
  • Chemical System: Cr-Mn-N
  • Density: 5.945884728229467
  • Atomic Density: 0.10131512339792377
  • Unit Cell Volume: 789.6155807439842
  • Molar Volume: 5.943970216911774
  • Full Formula: Mn12 Cr32 N36
  • Reduced Formula: Mn3Cr8N9
  • Formula Anonymous: A3B8C9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -750.6615656500001
  • Final energy per atom: -9.383269570625
  • 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.