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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218339

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-1218339
  • 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: 4
  • Number of elements: 3
  • Element list: ['Sr', 'Cu', 'O']
  • Chemical System: Cu-O-Sr
  • Density: 2.4778560371842455
  • Atomic Density: 0.032587042584811154
  • Unit Cell Volume: 122.7481748179383
  • Molar Volume: 18.480169669667795
  • Full Formula: Sr1 Cu1 O2
  • Reduced Formula: SrCuO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -21.7438519
  • Final energy per atom: -5.435962975
  • 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.