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  1. Third-Parties
  2. MatprojStructure
  3. mp-557661

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-557661
  • 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: 140
  • Number of elements: 5
  • Element list: ['Sb', 'Pd', 'C', 'O', 'F']
  • Chemical System: C-F-O-Pd-Sb
  • Density: 3.2055961550488954
  • Atomic Density: 0.06014064807562801
  • Unit Cell Volume: 2327.8764775522095
  • Molar Volume: 10.013428442651705
  • Full Formula: Sb16 Pd4 C16 O16 F88
  • Reduced Formula: Sb4PdC4(O2F11)2
  • Formula Anonymous: AB4C4D4E22
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -786.77733071
  • Final energy per atom: -5.6198380765
  • 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.