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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200706

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-1200706
  • 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: 32
  • Number of elements: 3
  • Element list: ['Sb', 'O', 'F']
  • Chemical System: F-O-Sb
  • Density: 3.6947136013179502
  • Atomic Density: 0.07070538665224949
  • Unit Cell Volume: 452.5822078788098
  • Molar Volume: 8.517230504118043
  • Full Formula: Sb4 O4 F24
  • Reduced Formula: SbOF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 206
  • Spacegroup Symbol: Ia-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -139.57268341
  • Final energy per atom: -4.3616463565625
  • 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.