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  1. Third-Parties
  2. MatprojStructure
  3. mp-530564

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-530564
  • 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: 104
  • Number of elements: 3
  • Element list: ['As', 'Mn', 'Sr']
  • Chemical System: As-Mn-Sr
  • Density: 4.538299451046443
  • Atomic Density: 0.03374499945750384
  • Unit Cell Volume: 3081.938114444795
  • Molar Volume: 17.846024171918792
  • Full Formula: Sr56 Mn4 As44
  • Reduced Formula: Sr14MnAs11
  • Formula Anonymous: AB11C14
  • Spacegroup Number: 45
  • Spacegroup Symbol: Iba2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -449.02876749000006
  • Final energy per atom: -4.317584302788462
  • 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.