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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173243

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-1173243
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 85
  • Number of elements: 5
  • Element list: ['Sr', 'La', 'Cu', 'O', 'F']
  • Chemical System: Cu-F-La-O-Sr
  • Density: 6.59774079554115
  • Atomic Density: 0.08236253115586192
  • Unit Cell Volume: 1032.0226783602238
  • Molar Volume: 7.311748043055851
  • Full Formula: Sr4 La13 Cu17 O35 F16
  • Reduced Formula: Sr4La13Cu17O35F16
  • Formula Anonymous: A4B13C16D17E35
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -553.43748186
  • Final energy per atom: -6.511029198352942
  • 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.