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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216142

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-1216142
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Y', 'Ti', 'Cu', 'O']
  • Chemical System: Cu-O-Ti-Y
  • Density: 4.932762396404424
  • Atomic Density: 0.077113609553184
  • Unit Cell Volume: 129.67879545442835
  • Molar Volume: 7.809439598138157
  • Full Formula: Y2 Ti1 Cu1 O6
  • Reduced Formula: Y2TiCuO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -85.58035719
  • Final energy per atom: -8.558035719
  • 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.