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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218734

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-1218734
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 6
  • Element list: ['Sr', 'Ca', 'Y', 'Cu', 'Pb', 'O']
  • Chemical System: Ca-Cu-O-Pb-Sr-Y
  • Density: 6.904106081290769
  • Atomic Density: 0.06838649550948622
  • Unit Cell Volume: 467.92864236713405
  • Molar Volume: 8.806037968658064
  • Full Formula: Sr4 Ca1 Y1 Cu6 Pb4 O16
  • Reduced Formula: Sr4CaYCu6(PbO4)4
  • Formula Anonymous: ABC4D4E6F16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -197.6180121
  • Final energy per atom: -6.175562878125
  • 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.