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  1. Third-Parties
  2. MatprojStructure
  3. mp-695900

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-695900
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 6
  • Element list: ['Sb', 'H', 'C', 'S', 'O', 'F']
  • Chemical System: C-F-H-O-S-Sb
  • Density: 2.7751941455248397
  • Atomic Density: 0.06833949932150916
  • Unit Cell Volume: 877.9695578061633
  • Molar Volume: 8.812093766839453
  • Full Formula: Sb4 H4 C4 S4 O12 F32
  • Reduced Formula: SbHCSO3F8
  • Formula Anonymous: ABCDE3F8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -326.64818836
  • Final energy per atom: -5.444136472666667
  • 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.