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  1. Third-Parties
  2. MatprojStructure
  3. mp-1247209

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-1247209
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Ta', 'Mn', 'N']
  • Chemical System: Mn-N-Ta
  • Density: 10.839518566931984
  • Atomic Density: 0.09573923635973675
  • Unit Cell Volume: 208.90076796571384
  • Molar Volume: 6.290149147808139
  • Full Formula: Ta6 Mn2 N12
  • Reduced Formula: Ta3MnN6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -207.98098128
  • Final energy per atom: -10.399049064
  • 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.