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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207488

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-1207488
  • 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: 12
  • Number of elements: 4
  • Element list: ['Yb', 'Ti', 'Cl', 'O']
  • Chemical System: Cl-O-Ti-Yb
  • Density: 5.457169260138834
  • Atomic Density: 0.06478650770123787
  • Unit Cell Volume: 185.22375145358725
  • Molar Volume: 9.295362527906308
  • Full Formula: Yb2 Ti2 Cl2 O6
  • Reduced Formula: YbTiClO3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -88.53938068
  • Final energy per atom: -7.378281723333333
  • 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.