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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228616

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-1228616
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['Ba', 'Pb', 'S', 'O']
  • Chemical System: Ba-O-Pb-S
  • Density: 5.399600075787273
  • Atomic Density: 0.06968667903887722
  • Unit Cell Volume: 1033.1960281796785
  • Molar Volume: 8.641738769959655
  • Full Formula: Ba4 Pb8 S12 O48
  • Reduced Formula: BaPb2(SO4)3
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -480.96002184
  • Final energy per atom: -6.680000303333333
  • 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.