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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246503

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-1246503
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Mn', 'Pb', 'N']
  • Chemical System: Mn-N-Pb
  • Density: 8.825676667227222
  • Atomic Density: 0.05177678007875082
  • Unit Cell Volume: 270.3914762313618
  • Molar Volume: 11.630968072638966
  • Full Formula: Mn2 Pb6 N6
  • Reduced Formula: Mn(PbN)3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -86.69014046
  • Final energy per atom: -6.19215289
  • 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.