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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193831

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-1193831
  • 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: 28
  • Number of elements: 5
  • Element list: ['Co', 'Si', 'N', 'Cl', 'F']
  • Chemical System: Cl-Co-F-N-Si
  • Density: 1.932614171898139
  • Atomic Density: 0.053161819157765994
  • Unit Cell Volume: 526.6937897084679
  • Molar Volume: 11.327943353722262
  • Full Formula: Co2 Si2 N10 Cl2 F12
  • Reduced Formula: CoSiN5ClF6
  • Formula Anonymous: ABCD5E6
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -171.81186336
  • Final energy per atom: -6.136137977142857
  • 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.