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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218477

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-1218477
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 5
  • Element list: ['Sr', 'Mn', 'Cu', 'S', 'O']
  • Chemical System: Cu-Mn-O-S-Sr
  • Density: 4.959905128099722
  • Atomic Density: 0.060216564335108184
  • Unit Cell Volume: 564.6286927096721
  • Molar Volume: 10.000804307742445
  • Full Formula: Sr8 Mn4 Cu6 S8 O8
  • Reduced Formula: Sr4Mn2Cu3(SO)4
  • Formula Anonymous: A2B3C4D4E4
  • Spacegroup Number: 21
  • Spacegroup Symbol: C222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -211.97311949
  • Final energy per atom: -6.234503514411764
  • 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.