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  1. Third-Parties
  2. MatprojStructure
  3. mp-699606

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-699606
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 5
  • Element list: ['Sb', 'W', 'C', 'O', 'F']
  • Chemical System: C-F-O-Sb-W
  • Density: 3.139773806518909
  • Atomic Density: 0.059988194198744405
  • Unit Cell Volume: 1100.2164822854666
  • Molar Volume: 10.038876549689586
  • Full Formula: Sb6 W2 C12 O12 F34
  • Reduced Formula: Sb3WC6O6F17
  • Formula Anonymous: AB3C6D6E17
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -414.10222003
  • Final energy per atom: -6.274276061060606
  • 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.