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  1. Third-Parties
  2. MatprojStructure
  3. mp-554519

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-554519
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 4
  • Element list: ['Gd', 'Ti', 'Se', 'O']
  • Chemical System: Gd-O-Se-Ti
  • Density: 6.733915499892208
  • Atomic Density: 0.04988940440535983
  • Unit Cell Volume: 260.57637197615765
  • Molar Volume: 12.070981467465698
  • Full Formula: Gd4 Ti1 Se4 O4
  • Reduced Formula: Gd4Ti(SeO)4
  • Formula Anonymous: AB4C4D4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -136.67834645
  • Final energy per atom: -10.513718957692307
  • 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.