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  1. Third-Parties
  2. MatprojStructure
  3. mp-21239

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-21239
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Fe', 'Pb', 'C', 'N']
  • Chemical System: C-Fe-N-Pb
  • Density: 4.04807749046513
  • Atomic Density: 0.05838137419001228
  • Unit Cell Volume: 256.931259466074
  • Molar Volume: 10.3151747343252
  • Full Formula: Fe1 Pb2 C6 N6
  • Reduced Formula: FePb2(CN)6
  • Formula Anonymous: AB2C6D6
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -120.49701717
  • Final energy per atom: -8.033134478000001
  • 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.