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  1. Third-Parties
  2. MatprojStructure
  3. mp-865218

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-865218
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Yb', 'Ti', 'O']
  • Chemical System: O-Ti-Yb
  • Density: 7.805916140066132
  • Atomic Density: 0.08740687382110722
  • Unit Cell Volume: 57.20373903582613
  • Molar Volume: 6.889779369441034
  • Full Formula: Yb1 Ti1 O3
  • Reduced Formula: YbTiO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -42.45998881
  • Final energy per atom: -8.491997762
  • 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.