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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227711

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-1227711
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Ca', 'Co', 'Si', 'Ni', 'O']
  • Chemical System: Ca-Co-Ni-O-Si
  • Density: 3.6684446406897564
  • Atomic Density: 0.08801593678915032
  • Unit Cell Volume: 454.4631513247812
  • Molar Volume: 6.842102668777533
  • Full Formula: Ca4 Co1 Si8 Ni3 O24
  • Reduced Formula: Ca4CoSi8(NiO8)3
  • Formula Anonymous: AB3C4D8E24
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -312.59148226
  • Final energy per atom: -7.8147870565
  • 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.