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  1. Third-Parties
  2. MatprojStructure
  3. mp-651768

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-651768
  • 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: 160
  • Number of elements: 4
  • Element list: ['Cs', 'Xe', 'O', 'F']
  • Chemical System: Cs-F-O-Xe
  • Density: 3.6725913691780785
  • Atomic Density: 0.053827908939889604
  • Unit Cell Volume: 2972.435733639111
  • Molar Volume: 11.18776649251787
  • Full Formula: Cs8 Xe24 O24 F104
  • Reduced Formula: CsXe3O3F13
  • Formula Anonymous: AB3C3D13
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -451.2768903
  • Final energy per atom: -2.820480564375
  • 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.