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  1. Third-Parties
  2. MatprojStructure
  3. mp-699229

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-699229
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['H', 'Pb', 'Cl', 'O']
  • Chemical System: Cl-H-O-Pb
  • Density: 7.241035717573238
  • Atomic Density: 0.049408366958590064
  • Unit Cell Volume: 647.6635835145029
  • Molar Volume: 12.18850395328235
  • Full Formula: H4 Pb12 Cl4 O12
  • Reduced Formula: HPb3ClO3
  • Formula Anonymous: ABC3D3
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -172.23739346
  • Final energy per atom: -5.382418545625
  • 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.