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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196785

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-1196785
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 4
  • Element list: ['Ca', 'Co', 'Si', 'O']
  • Chemical System: Ca-Co-O-Si
  • Density: 3.0370549817015027
  • Atomic Density: 0.05494198967958995
  • Unit Cell Volume: 2184.1218474215184
  • Molar Volume: 10.960907668469687
  • Full Formula: Ca36 Co18 Si36 O30
  • Reduced Formula: Ca6Co3Si6O5
  • Formula Anonymous: A3B5C6D6
  • Spacegroup Number: 81
  • Spacegroup Symbol: P-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -677.56618653
  • Final energy per atom: -5.64638488775
  • 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.