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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218930

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-1218930
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Cu', 'Bi', 'O']
  • Chemical System: Bi-Ca-Cu-O-Sr
  • Density: 6.266668983881059
  • Atomic Density: 0.06372164636585533
  • Unit Cell Volume: 470.79762860733666
  • Molar Volume: 9.45069862982528
  • Full Formula: Sr4 Ca2 Cu4 Bi4 O16
  • Reduced Formula: Sr2CaCu2(BiO4)2
  • Formula Anonymous: AB2C2D2E8
  • Spacegroup Number: 37
  • Spacegroup Symbol: Ccc2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -184.14221002
  • Final energy per atom: -6.138073667333333
  • 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.