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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208584

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-1208584
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 3
  • Element list: ['Y', 'Se', 'O']
  • Chemical System: O-Se-Y
  • Density: 2.8502889436212726
  • Atomic Density: 0.05840926743685314
  • Unit Cell Volume: 856.0285412594075
  • Molar Volume: 10.31024874008324
  • Full Formula: Y4 Se6 O40
  • Reduced Formula: Y2Se3O20
  • Formula Anonymous: A2B3C20
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -283.32313618
  • Final energy per atom: -5.6664627236000005
  • 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.