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  1. Third-Parties
  2. MatprojStructure
  3. mp-1181479

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-1181479
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 5
  • Element list: ['Fe', 'As', 'Pb', 'Cl', 'O']
  • Chemical System: As-Cl-Fe-O-Pb
  • Density: 5.919388487267601
  • Atomic Density: 0.05192845295778784
  • Unit Cell Volume: 365.88804244649697
  • Molar Volume: 11.596996284282419
  • Full Formula: Fe1 As2 Pb4 Cl4 O8
  • Reduced Formula: FeAs2Pb4(ClO2)4
  • Formula Anonymous: AB2C4D4E8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -106.24447783
  • Final energy per atom: -5.591814622631579
  • 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.