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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196731

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-1196731
  • 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: 152
  • Number of elements: 4
  • Element list: ['Sc', 'C', 'N', 'F']
  • Chemical System: C-F-N-Sc
  • Density: 1.8645640237740837
  • Atomic Density: 0.06645449675590986
  • Unit Cell Volume: 2287.279377922345
  • Molar Volume: 9.062051560061578
  • Full Formula: Sc8 C24 N72 F48
  • Reduced Formula: ScC3(N3F2)3
  • Formula Anonymous: AB3C6D9
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -901.88234009
  • Final energy per atom: -5.933436447960526
  • 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.