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  1. Third-Parties
  2. MatprojStructure
  3. mp-581026

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-581026
  • 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: 22
  • Number of elements: 3
  • Element list: ['Mn', 'C', 'N']
  • Chemical System: C-Mn-N
  • Density: 1.7718555735142225
  • Atomic Density: 0.0627597821472909
  • Unit Cell Volume: 350.54296314107995
  • Molar Volume: 9.595541211195796
  • Full Formula: Mn2 C8 N12
  • Reduced Formula: Mn(C2N3)2
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -190.67868995
  • Final energy per atom: -8.667213179545454
  • 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.