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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218870

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-1218870
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 7
  • Element list: ['Sr', 'Ca', 'Y', 'Cu', 'Bi', 'Pb', 'O']
  • Chemical System: Bi-Ca-Cu-O-Pb-Sr-Y
  • Density: 6.504642892556258
  • Atomic Density: 0.06449818144424002
  • Unit Cell Volume: 930.2587864724716
  • Molar Volume: 9.336915592273346
  • Full Formula: Sr8 Ca2 Y2 Cu8 Bi4 Pb4 O32
  • Reduced Formula: Sr4CaYCu4Bi2(PbO8)2
  • Formula Anonymous: ABC2D2E4F4G16
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -380.9850128
  • Final energy per atom: -6.3497502133333334
  • 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.