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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246751

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-1246751
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Cr', 'Pb', 'N']
  • Chemical System: Cr-N-Pb
  • Density: 8.229199268983855
  • Atomic Density: 0.057063168527546386
  • Unit Cell Volume: 630.8797939010615
  • Molar Volume: 10.553463670866616
  • Full Formula: Cr8 Pb12 N16
  • Reduced Formula: Cr2Pb3N4
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 52
  • Spacegroup Symbol: Pnna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -254.56548868
  • Final energy per atom: -7.071263574444444
  • 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.