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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218644

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-1218644
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Cu', 'Bi', 'O']
  • Chemical System: Bi-Ca-Cu-O-Sr
  • Density: 6.07555905110495
  • Atomic Density: 0.04745288215062174
  • Unit Cell Volume: 463.6177825862944
  • Molar Volume: 12.690779752607916
  • Full Formula: Sr5 Ca1 Cu4 Bi4 O8
  • Reduced Formula: Sr5CaCu4(BiO2)4
  • Formula Anonymous: AB4C4D5E8
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -117.97823873
  • Final energy per atom: -5.362647215
  • 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.