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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217748

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-1217748
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 6
  • Element list: ['Te', 'H', 'Pb', 'C', 'Cl', 'O']
  • Chemical System: C-Cl-H-O-Pb-Te
  • Density: 6.483285819038932
  • Atomic Density: 0.05864316595090582
  • Unit Cell Volume: 920.8234092478409
  • Molar Volume: 10.269126269617747
  • Full Formula: Te4 H4 Pb12 C2 Cl3 O29
  • Reduced Formula: Te4H4Pb12C2Cl3O29
  • Formula Anonymous: A2B3C4D4E12F29
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -321.92878624
  • Final energy per atom: -5.96164418962963
  • 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.