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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227618

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-1227618
  • 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: 40
  • Number of elements: 4
  • Element list: ['Ca', 'Y', 'Co', 'O']
  • Chemical System: Ca-Co-O-Y
  • Density: 4.103854136901672
  • Atomic Density: 0.07926625174320792
  • Unit Cell Volume: 504.62837740309163
  • Molar Volume: 7.5973578005295535
  • Full Formula: Ca9 Y3 Co4 O24
  • Reduced Formula: Ca9Y3(CoO6)4
  • Formula Anonymous: A3B4C9D24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -286.28543723
  • Final energy per atom: -7.15713593075
  • 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.