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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245339

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-1245339
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 3
  • Element list: ['Co', 'Si', 'N']
  • Chemical System: Co-N-Si
  • Density: 5.287912066533435
  • Atomic Density: 0.09519450185635317
  • Unit Cell Volume: 546.2500353063151
  • Molar Volume: 6.326143466864614
  • Full Formula: Co20 Si8 N24
  • Reduced Formula: Co5(SiN3)2
  • Formula Anonymous: A2B5C6
  • Spacegroup Number: 117
  • Spacegroup Symbol: P-4b2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -383.05472055
  • Final energy per atom: -7.366436933653846
  • 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.