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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205001

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-1205001
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 4
  • Element list: ['Os', 'Xe', 'O', 'F']
  • Chemical System: F-O-Os-Xe
  • Density: 4.332389033085223
  • Atomic Density: 0.0621404162579185
  • Unit Cell Volume: 1223.0365449203985
  • Molar Volume: 9.69118187912461
  • Full Formula: Os8 Xe4 O24 F40
  • Reduced Formula: Os2Xe(O3F5)2
  • Formula Anonymous: AB2C6D10
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -389.21699482
  • Final energy per atom: -5.121276247631579
  • 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.