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  1. Third-Parties
  2. MatprojStructure
  3. mp-697558

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-697558
  • 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: 52
  • Number of elements: 5
  • Element list: ['Sb', 'H', 'C', 'N', 'F']
  • Chemical System: C-F-H-N-Sb
  • Density: 1.9647729158073732
  • Atomic Density: 0.09131121775942382
  • Unit Cell Volume: 569.4809605650377
  • Molar Volume: 6.595181739735896
  • Full Formula: Sb2 H24 C4 N12 F10
  • Reduced Formula: SbH12C2N6F5
  • Formula Anonymous: AB2C5D6E12
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -299.82409325
  • Final energy per atom: -5.765847947115384
  • 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.