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  1. Third-Parties
  2. MatprojStructure
  3. mp-645299

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-645299
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Cs', 'Mo', 'O']
  • Chemical System: Cs-Mo-O
  • Density: 3.895760466695754
  • Atomic Density: 0.05553431992501409
  • Unit Cell Volume: 540.2064892575955
  • Molar Volume: 10.843998392582227
  • Full Formula: Cs4 Mo4 O22
  • Reduced Formula: Cs2Mo2O11
  • Formula Anonymous: A2B2C11
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -192.17091573
  • Final energy per atom: -6.405697191
  • 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.