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  1. Third-Parties
  2. MatprojStructure
  3. mp-555856

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-555856
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 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: 4.952813835121412
  • Atomic Density: 0.060130471297273995
  • Unit Cell Volume: 565.4371114423875
  • Molar Volume: 10.015123164805484
  • Full Formula: Sr8 Mn4 Cu6 S8 O8
  • Reduced Formula: Sr4Mn2Cu3(SO)4
  • Formula Anonymous: A2B3C4D4E4
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -212.04913473
  • Final energy per atom: -6.2367392567647055
  • 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.