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  1. Third-Parties
  2. MatprojStructure
  3. mp-686499

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-686499
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 160
  • Number of elements: 4
  • Element list: ['Ba', 'Sb', 'Pb', 'O']
  • Chemical System: Ba-O-Pb-Sb
  • Density: 7.623771853348644
  • Atomic Density: 0.061405971453273554
  • Unit Cell Volume: 2605.6097837610287
  • Molar Volume: 9.807093052151298
  • Full Formula: Ba32 Sb7 Pb25 O96
  • Reduced Formula: Ba32Sb7Pb25O96
  • Formula Anonymous: A7B25C32D96
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1014.0917018
  • Final energy per atom: -6.33807313625
  • 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.