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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218823

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-1218823
  • 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: 64
  • Number of elements: 6
  • Element list: ['Sr', 'Ca', 'Y', 'Cu', 'Pb', 'O']
  • Chemical System: Ca-Cu-O-Pb-Sr-Y
  • Density: 6.959025091684077
  • Atomic Density: 0.06807620918533046
  • Unit Cell Volume: 940.122852989164
  • Molar Volume: 8.846175238114895
  • Full Formula: Sr8 Ca1 Y3 Cu12 Pb8 O32
  • Reduced Formula: Sr8CaY3Cu12(PbO4)8
  • Formula Anonymous: AB3C8D8E12F32
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -402.13482566
  • Final energy per atom: -6.2833566509375
  • 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.