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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228136

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-1228136
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Ba', 'Pb', 'S', 'O']
  • Chemical System: Ba-O-Pb-S
  • Density: 4.697216335714954
  • Atomic Density: 0.06765735566247343
  • Unit Cell Volume: 354.7286139844178
  • Molar Volume: 8.900940187557785
  • Full Formula: Ba3 Pb1 S4 O16
  • Reduced Formula: Ba3Pb(SO4)4
  • Formula Anonymous: AB3C4D16
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -165.28025262999998
  • Final energy per atom: -6.8866771929166655
  • 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.