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  1. Third-Parties
  2. MatprojStructure
  3. mp-686003

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-686003
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 27
  • Number of elements: 3
  • Element list: ['Ce', 'Y', 'O']
  • Chemical System: Ce-O-Y
  • Density: 5.674870866689558
  • Atomic Density: 0.06755465407747446
  • Unit Cell Volume: 399.676386012358
  • Molar Volume: 8.914472055609316
  • Full Formula: Ce4 Y6 O17
  • Reduced Formula: Ce4Y6O17
  • Formula Anonymous: A4B6C17
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -251.03751531
  • Final energy per atom: -9.297685752222222
  • 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.