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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201833

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-1201833
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 39
  • Number of elements: 4
  • Element list: ['Fe', 'Pb', 'S', 'O']
  • Chemical System: Fe-O-Pb-S
  • Density: 3.614720709115694
  • Atomic Density: 0.07590128754048427
  • Unit Cell Volume: 513.8252757464511
  • Molar Volume: 7.934174709207546
  • Full Formula: Fe6 Pb1 S4 O28
  • Reduced Formula: Fe6Pb(SO7)4
  • Formula Anonymous: AB4C6D28
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -259.71306953
  • Final energy per atom: -6.659309475128205
  • 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.