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  1. Third-Parties
  2. MatprojStructure
  3. mp-558829

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-558829
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 4
  • Element list: ['Cs', 'Yb', 'S', 'O']
  • Chemical System: Cs-O-S-Yb
  • Density: 3.704620067951026
  • Atomic Density: 0.049292169038622685
  • Unit Cell Volume: 770.9135292915443
  • Molar Volume: 12.21723628205806
  • Full Formula: Cs6 Yb2 S6 O24
  • Reduced Formula: Cs3Yb(SO4)3
  • Formula Anonymous: AB3C3D12
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -240.13299580000003
  • Final energy per atom: -6.319289363157895
  • 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.