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  1. Third-Parties
  2. MatprojStructure
  3. mp-743681

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-743681
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 39
  • Number of elements: 5
  • Element list: ['Sr', 'La', 'Mn', 'O', 'F']
  • Chemical System: F-La-Mn-O-Sr
  • Density: 5.259738234400469
  • Atomic Density: 0.07931966783259342
  • Unit Cell Volume: 491.68133283551674
  • Molar Volume: 7.59224152666639
  • Full Formula: Sr5 La2 Mn8 O18 F6
  • Reduced Formula: Sr5La2Mn8(O3F)6
  • Formula Anonymous: A2B5C6D8E18
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -299.71381864
  • Final energy per atom: -7.684969708717949
  • 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.