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  1. Third-Parties
  2. MatprojStructure
  3. mp-562523

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-562523
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Cs', 'Mo', 'O', 'F']
  • Chemical System: Cs-F-Mo-O
  • Density: 4.251336716867444
  • Atomic Density: 0.04820278038780599
  • Unit Cell Volume: 580.8793553967532
  • Molar Volume: 12.493347295633264
  • Full Formula: Cs6 Mo4 O12 F6
  • Reduced Formula: Cs3Mo2(O2F)3
  • Formula Anonymous: A2B3C3D6
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -187.74616902
  • Final energy per atom: -6.705220322142857
  • 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.