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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227252

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-1227252
  • 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: 24
  • Number of elements: 5
  • Element list: ['Ca', 'La', 'Ti', 'Ru', 'O']
  • Chemical System: Ca-La-O-Ru-Ti
  • Density: 6.046353538735341
  • Atomic Density: 0.08088843439956592
  • Unit Cell Volume: 296.70496379552617
  • Molar Volume: 7.444996067364011
  • Full Formula: Ca1 La4 Ti3 Ru1 O15
  • Reduced Formula: CaLa4Ti3RuO15
  • Formula Anonymous: ABC3D4E15
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -210.32730289
  • Final energy per atom: -8.763637620416667
  • 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.