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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216271

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-1216271
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Y', 'Er', 'Ti', 'Si', 'O']
  • Chemical System: Er-O-Si-Ti-Y
  • Density: 4.733525929324018
  • Atomic Density: 0.08231878654944737
  • Unit Cell Volume: 680.2821366464366
  • Molar Volume: 7.315633541782849
  • Full Formula: Y6 Er2 Ti8 Si4 O36
  • Reduced Formula: Y3ErTi4(SiO9)2
  • Formula Anonymous: AB2C3D4E18
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -517.34650865
  • Final energy per atom: -9.238330511607144
  • 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.