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  1. Third-Parties
  2. MatprojStructure
  3. mp-559010

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-559010
  • 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: 92
  • Number of elements: 5
  • Element list: ['Sb', 'Os', 'C', 'O', 'F']
  • Chemical System: C-F-O-Os-Sb
  • Density: 3.2721972570190694
  • Atomic Density: 0.05857410105442417
  • Unit Cell Volume: 1570.660041620069
  • Molar Volume: 10.281234626895122
  • Full Formula: Sb8 Os4 C16 O16 F48
  • Reduced Formula: Sb2OsC4(OF3)4
  • Formula Anonymous: AB2C4D4E12
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -585.19556815
  • Final energy per atom: -6.360821392934782
  • 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.