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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195226

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-1195226
  • 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: 48
  • Number of elements: 4
  • Element list: ['Pb', 'Br', 'N', 'O']
  • Chemical System: Br-N-O-Pb
  • Density: 5.2027993444565945
  • Atomic Density: 0.05617950301722598
  • Unit Cell Volume: 854.4041406931287
  • Molar Volume: 10.719462502460138
  • Full Formula: Pb8 Br6 N2 O32
  • Reduced Formula: Pb4Br3NO16
  • Formula Anonymous: AB3C4D16
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -247.61044659
  • Final energy per atom: -5.158550970625
  • 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.