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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197858

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-1197858
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 4
  • Element list: ['Os', 'Xe', 'O', 'F']
  • Chemical System: F-O-Os-Xe
  • Density: 3.907927925428324
  • Atomic Density: 0.05866505346734736
  • Unit Cell Volume: 1772.7760200182179
  • Molar Volume: 10.265294931252198
  • Full Formula: Os8 Xe8 O24 F64
  • Reduced Formula: OsXeO3F8
  • Formula Anonymous: ABC3D8
  • Spacegroup Number: 86
  • Spacegroup Symbol: P4_2/n
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -458.82600105
  • Final energy per atom: -4.411788471634615
  • 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.