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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218738

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-1218738
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Sr', 'Ca', 'Cu', 'O']
  • Chemical System: Ca-Cu-O-Sr
  • Density: 4.957302922322532
  • Atomic Density: 0.0749586515047431
  • Unit Cell Volume: 747.07854098011
  • Molar Volume: 8.03395023671009
  • Full Formula: Sr6 Ca4 Cu17 O29
  • Reduced Formula: Sr6Ca4Cu17O29
  • Formula Anonymous: A4B6C17D29
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -330.5771563
  • Final energy per atom: -5.903163505357143
  • 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.