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  1. Third-Parties
  2. MatprojStructure
  3. mp-540812

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-540812
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Sr', 'Cu', 'F']
  • Chemical System: Cu-F-Sr
  • Density: 4.181369939228023
  • Atomic Density: 0.06424102429669758
  • Unit Cell Volume: 560.3895702804142
  • Molar Volume: 9.37429131295713
  • Full Formula: Sr8 Cu4 F24
  • Reduced Formula: Sr2CuF6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 117
  • Spacegroup Symbol: P-4b2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -198.41797188
  • Final energy per atom: -5.51161033
  • 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.