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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195269

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-1195269
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 3
  • Element list: ['Ca', 'Co', 'O']
  • Chemical System: Ca-Co-O
  • Density: 4.170781669006097
  • Atomic Density: 0.08130846869636006
  • Unit Cell Volume: 885.5166153587053
  • Molar Volume: 7.406535698623474
  • Full Formula: Ca16 Co16 O40
  • Reduced Formula: Ca2Co2O5
  • Formula Anonymous: A2B2C5
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -501.44859542
  • Final energy per atom: -6.964563825277778
  • 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.