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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218959

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-1218959
  • 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: 75
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Cu', 'Bi', 'O']
  • Chemical System: Bi-Ca-Cu-O-Sr
  • Density: 6.855015038625274
  • Atomic Density: 0.06715071800000424
  • Unit Cell Volume: 1116.8905148563751
  • Molar Volume: 8.968095858631951
  • Full Formula: Sr10 Ca4 Cu10 Bi11 O40
  • Reduced Formula: Sr10Ca4Cu10Bi11O40
  • Formula Anonymous: A4B10C10D11E40
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -454.8492955
  • Final energy per atom: -6.064657273333333
  • 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.