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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226812

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-1226812
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ce', 'Th', 'S']
  • Chemical System: Ce-S-Th
  • Density: 7.288591855939816
  • Atomic Density: 0.04328228093868957
  • Unit Cell Volume: 138.62485686692781
  • Molar Volume: 13.91364001479153
  • Full Formula: Ce2 Th1 S3
  • Reduced Formula: Ce2ThS3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -45.1767374
  • Final energy per atom: -7.529456233333334
  • 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.