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  1. Third-Parties
  2. MatprojStructure
  3. mp-1308658

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-1308658
  • 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: 18
  • Number of elements: 5
  • Element list: ['Ba', 'Y', 'Mn', 'Cu', 'O']
  • Chemical System: Ba-Cu-Mn-O-Y
  • Density: 5.8537508709178185
  • Atomic Density: 0.07470181910987364
  • Unit Cell Volume: 240.95798756286067
  • Molar Volume: 8.061571768610424
  • Full Formula: Ba2 Y2 Mn2 Cu2 O10
  • Reduced Formula: BaYMnCuO5
  • Formula Anonymous: ABCDE5
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -138.46830064
  • Final energy per atom: -7.692683368888889
  • 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.