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  1. Third-Parties
  2. MatprojStructure
  3. mp-6312

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-6312
  • 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: 36
  • Number of elements: 4
  • Element list: ['Sr', 'Cu', 'C', 'O']
  • Chemical System: C-Cu-O-Sr
  • Density: 4.6394336213816
  • Atomic Density: 0.07601532342321693
  • Unit Cell Volume: 473.5887236783725
  • Molar Volume: 7.922272100944178
  • Full Formula: Sr8 Cu4 C4 O20
  • Reduced Formula: Sr2CuCO5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -251.48227392
  • Final energy per atom: -6.985618720000001
  • 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.