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  1. Third-Parties
  2. MatprojStructure
  3. mp-667424

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-667424
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 160
  • Number of elements: 5
  • Element list: ['P', 'Os', 'C', 'O', 'F']
  • Chemical System: C-F-O-Os-P
  • Density: 3.2378104503140834
  • Atomic Density: 0.05886307522976034
  • Unit Cell Volume: 2718.1726298782683
  • Molar Volume: 10.230761366941447
  • Full Formula: P8 Os16 C60 O52 F24
  • Reduced Formula: P2Os4C15O13F6
  • Formula Anonymous: A2B4C6D13E15
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1260.3687440699998
  • Final energy per atom: -7.877304650437499
  • 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.