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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215761

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-1215761
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Yb', 'Ti', 'O', 'F']
  • Chemical System: F-O-Ti-Yb
  • Density: 5.781986291642989
  • Atomic Density: 0.0852108455101296
  • Unit Cell Volume: 422.48143161213477
  • Molar Volume: 7.067340693484969
  • Full Formula: Yb4 Ti8 O20 F4
  • Reduced Formula: YbTi2O5F
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -298.90333231
  • Final energy per atom: -8.302870341944445
  • 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.