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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182907

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-1182907
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['Ca', 'Al', 'Co', 'O']
  • Chemical System: Al-Ca-Co-O
  • Density: 2.9268819907120336
  • Atomic Density: 0.07096369794023644
  • Unit Cell Volume: 1014.6032702613146
  • Molar Volume: 8.486227373708276
  • Full Formula: Ca12 Al16 Co4 O40
  • Reduced Formula: Ca3Al4CoO10
  • Formula Anonymous: AB3C4D10
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -528.68943999
  • Final energy per atom: -7.342908888749999
  • 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.