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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245969

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-1245969
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Ca', 'Pb', 'N']
  • Chemical System: Ca-N-Pb
  • Density: 5.80350439141815
  • Atomic Density: 0.055410449394386455
  • Unit Cell Volume: 180.4713751520861
  • Molar Volume: 10.868240243166289
  • Full Formula: Ca4 Pb2 N4
  • Reduced Formula: Ca2PbN2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -54.07802129
  • Final energy per atom: -5.407802129
  • 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.