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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228958

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-1228958
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['Ba', 'Pr', 'Y', 'Cu', 'O']
  • Chemical System: Ba-Cu-O-Pr-Y
  • Density: 6.283098048210812
  • Atomic Density: 0.07242261251793483
  • Unit Cell Volume: 718.0077905519171
  • Molar Volume: 8.315276887462005
  • Full Formula: Ba8 Pr1 Y3 Cu12 O28
  • Reduced Formula: Ba8PrY3(Cu3O7)4
  • Formula Anonymous: AB3C8D12E28
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -340.1322985
  • Final energy per atom: -6.541005740384615
  • 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.