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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228282

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-1228282
  • 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: 36
  • Number of elements: 5
  • Element list: ['Ba', 'Nd', 'Cu', 'Pt', 'O']
  • Chemical System: Ba-Cu-Nd-O-Pt
  • Density: 7.3582639840184685
  • Atomic Density: 0.06622169012555651
  • Unit Cell Volume: 543.6285291381706
  • Molar Volume: 9.093909787838403
  • Full Formula: Ba4 Nd8 Cu3 Pt1 O20
  • Reduced Formula: Ba4Nd8Cu3PtO20
  • Formula Anonymous: AB3C4D8E20
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -269.93547772
  • Final energy per atom: -7.498207714444444
  • 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.