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  1. Third-Parties
  2. MatprojStructure
  3. mp-685705

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-685705
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 3
  • Element list: ['Mn', 'Nb', 'N']
  • Chemical System: Mn-N-Nb
  • Density: 7.482044210771269
  • Atomic Density: 0.0964156849671564
  • Unit Cell Volume: 995.6886167712443
  • Molar Volume: 6.246017711798052
  • Full Formula: Mn17 Nb31 N48
  • Reduced Formula: Mn17Nb31N48
  • Formula Anonymous: A17B31C48
  • Spacegroup Number: 149
  • Spacegroup Symbol: P312
  • Crystal System: trigonal
  • Pointgroup: 312

Thermodynamics:

  • Final energy: -951.83603989
  • Final energy per atom: -9.914958748854167
  • 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.