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  1. Third-Parties
  2. MatprojStructure
  3. mp-504966

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-504966
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Ba', 'Y', 'Cu', 'Pt', 'O']
  • Chemical System: Ba-Cu-O-Pt-Y
  • Density: 6.932686619038488
  • Atomic Density: 0.0696580794177895
  • Unit Cell Volume: 803.9268447831846
  • Molar Volume: 8.645286821476802
  • Full Formula: Ba8 Y8 Cu4 Pt4 O32
  • Reduced Formula: Ba2Y2CuPtO8
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -415.02097809
  • Final energy per atom: -7.411088894464286
  • 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.