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  1. Third-Parties
  2. MatprojStructure
  3. mp-600218

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-600218
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 5
  • Element list: ['Sb', 'H', 'C', 'N', 'F']
  • Chemical System: C-F-H-N-Sb
  • Density: 1.7838974682021946
  • Atomic Density: 0.08692342534874392
  • Unit Cell Volume: 1012.3853224483132
  • Molar Volume: 6.928098767206512
  • Full Formula: Sb4 H48 C16 N4 F16
  • Reduced Formula: SbH12C4NF4
  • Formula Anonymous: ABC4D4E12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -455.01211764
  • Final energy per atom: -5.1705922459090905
  • 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.