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  1. Third-Parties
  2. MatprojStructure
  3. mp-698527

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-698527
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Sb', 'H', 'C', 'O', 'F']
  • Chemical System: C-F-H-O-Sb
  • Density: 2.818030186095501
  • Atomic Density: 0.08308898675630015
  • Unit Cell Volume: 385.1292601973345
  • Molar Volume: 7.247820674071917
  • Full Formula: Sb2 H6 C4 O8 F12
  • Reduced Formula: SbH3C2(O2F3)2
  • Formula Anonymous: AB2C3D4E6
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -189.3160221
  • Final energy per atom: -5.916125690625
  • 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.