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  1. Third-Parties
  2. MatprojStructure
  3. mp-562403

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-562403
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Cs', 'As', 'O', 'F']
  • Chemical System: As-Cs-F-O
  • Density: 3.9316379662326537
  • Atomic Density: 0.05527920253542916
  • Unit Cell Volume: 506.51960802174085
  • Molar Volume: 10.894044204310532
  • Full Formula: Cs4 As4 O4 F16
  • Reduced Formula: CsAsOF4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -145.17367004
  • Final energy per atom: -5.1847739299999995
  • 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.