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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220658

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-1220658
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 3
  • Element list: ['Pb', 'S', 'O']
  • Chemical System: O-Pb-S
  • Density: 6.06616919826996
  • Atomic Density: 0.07075497202259101
  • Unit Cell Volume: 961.0632024317473
  • Molar Volume: 8.511261594559349
  • Full Formula: Pb12 S8 O48
  • Reduced Formula: Pb3(SO6)2
  • Formula Anonymous: A2B3C12
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -401.90191786
  • Final energy per atom: -5.910322321470589
  • 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.