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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218175

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-1218175
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Sr', 'La', 'Mn', 'O', 'F']
  • Chemical System: F-La-Mn-O-Sr
  • Density: 5.95494521838493
  • Atomic Density: 0.07871715028919438
  • Unit Cell Volume: 406.51878126224153
  • Molar Volume: 7.650354132327715
  • Full Formula: Sr4 La4 Mn4 O16 F4
  • Reduced Formula: SrLaMnO4F
  • Formula Anonymous: ABCDE4
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -248.31774925
  • Final energy per atom: -7.7599296640625
  • 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.