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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245658

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-1245658
  • 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: 64
  • Number of elements: 3
  • Element list: ['Mg', 'Mn', 'N']
  • Chemical System: Mg-Mn-N
  • Density: 3.648318495590213
  • Atomic Density: 0.08193703427462397
  • Unit Cell Volume: 781.0875822707303
  • Molar Volume: 7.349717759878779
  • Full Formula: Mg16 Mn16 N32
  • Reduced Formula: MgMnN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -475.77170889
  • Final energy per atom: -7.43393295140625
  • 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.