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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245477

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-1245477
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Mn', 'Ni', 'N']
  • Chemical System: Mn-N-Ni
  • Density: 6.933715721123276
  • Atomic Density: 0.10620408540351399
  • Unit Cell Volume: 47.079168197747734
  • Molar Volume: 5.670347555011047
  • Full Formula: Mn2 Ni1 N2
  • Reduced Formula: Mn2NiN2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -41.21227125
  • Final energy per atom: -8.24245425
  • 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.