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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245589

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-1245589
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Mg', 'Pb', 'N']
  • Chemical System: Mg-N-Pb
  • Density: 6.301016368899969
  • Atomic Density: 0.06684721470761905
  • Unit Cell Volume: 74.79743205261946
  • Molar Volume: 9.008813286148202
  • Full Formula: Mg2 Pb1 N2
  • Reduced Formula: Mg2PbN2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -25.09424476
  • Final energy per atom: -5.018848952
  • 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.