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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173233

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-1173233
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 5
  • Element list: ['Sr', 'La', 'Cu', 'Bi', 'O']
  • Chemical System: Bi-Cu-La-O-Sr
  • Density: 7.21496024349934
  • Atomic Density: 0.061402004645792235
  • Unit Cell Volume: 358.29449098462976
  • Molar Volume: 9.807726628372688
  • Full Formula: Sr3 La1 Cu2 Bi4 O12
  • Reduced Formula: Sr3LaCu2(BiO3)4
  • Formula Anonymous: AB2C3D4E12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -134.33302435000002
  • Final energy per atom: -6.106046561363637
  • 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.