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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219558

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-1219558
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Sb', 'Pb', 'S', 'I']
  • Chemical System: I-Pb-S-Sb
  • Density: 5.8972999422484245
  • Atomic Density: 0.02896166925122749
  • Unit Cell Volume: 552.4543444374108
  • Molar Volume: 20.793486410472568
  • Full Formula: Sb2 Pb4 S4 I6
  • Reduced Formula: SbPb2S2I3
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -60.68085896
  • Final energy per atom: -3.792553685
  • 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.