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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196468

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-1196468
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 3
  • Element list: ['Pr', 'S', 'O']
  • Chemical System: O-Pr-S
  • Density: 2.8687859234413904
  • Atomic Density: 0.06187777479988466
  • Unit Cell Volume: 808.0445711194708
  • Molar Volume: 9.732316295270568
  • Full Formula: Pr4 S6 O40
  • Reduced Formula: Pr2S3O20
  • Formula Anonymous: A2B3C20
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -295.1095735
  • Final energy per atom: -5.90219147
  • 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.