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  1. Third-Parties
  2. MatprojStructure
  3. mp-551214

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-551214
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Ce', 'Cr', 'S', 'O']
  • Chemical System: Ce-Cr-O-S
  • Density: 5.275073310309932
  • Atomic Density: 0.05834384912840924
  • Unit Cell Volume: 171.39767343753675
  • Molar Volume: 10.321809153773593
  • Full Formula: Ce2 Cr2 S4 O2
  • Reduced Formula: CeCrS2O
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -79.58338939
  • Final energy per atom: -7.958338938999999
  • 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.