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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245427

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-1245427
  • 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', 'Ni', 'N']
  • Chemical System: Mn-N-Ni
  • Density: 6.091067090419951
  • Atomic Density: 0.09647611725247364
  • Unit Cell Volume: 829.2207675672065
  • Molar Volume: 6.242105229256201
  • Full Formula: Mn12 Ni32 N36
  • Reduced Formula: Mn3Ni8N9
  • Formula Anonymous: A3B8C9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -589.1175465
  • Final energy per atom: -7.36396933125
  • 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.