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  1. Third-Parties
  2. MatprojStructure
  3. mp-561726

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-561726
  • 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: 64
  • Number of elements: 4
  • Element list: ['Ce', 'Si', 'S', 'O']
  • Chemical System: Ce-O-S-Si
  • Density: 5.266848723030644
  • Atomic Density: 0.061526114983653984
  • Unit Cell Volume: 1040.2086986477736
  • Molar Volume: 9.787942504739553
  • Full Formula: Ce16 Si8 S12 O28
  • Reduced Formula: Ce4Si2S3O7
  • Formula Anonymous: A2B3C4D7
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -530.21147204
  • Final energy per atom: -8.284554250625
  • 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.