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  1. Third-Parties
  2. MatprojStructure
  3. mp-704436

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-704436
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 136
  • Number of elements: 4
  • Element list: ['Mo', 'P', 'Pb', 'O']
  • Chemical System: Mo-O-P-Pb
  • Density: 4.946981540476131
  • Atomic Density: 0.07072023495415046
  • Unit Cell Volume: 1923.0705340299266
  • Molar Volume: 8.51544224068867
  • Full Formula: Mo12 P20 Pb12 O92
  • Reduced Formula: Mo3P5Pb3O23
  • Formula Anonymous: A3B3C5D23
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1058.56431551
  • Final energy per atom: -7.783561143455882
  • 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.