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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246840

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-1246840
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Ba', 'Mn', 'N']
  • Chemical System: Ba-Mn-N
  • Density: 5.077181104683563
  • Atomic Density: 0.04167663348064035
  • Unit Cell Volume: 431.8966887851287
  • Molar Volume: 14.449681409121991
  • Full Formula: Ba8 Mn2 N8
  • Reduced Formula: Ba4MnN4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -112.83222685
  • Final energy per atom: -6.268457047222222
  • 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.