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  1. Third-Parties
  2. MatprojStructure
  3. mp-673656

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-673656
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 2
  • Element list: ['Y', 'Se']
  • Chemical System: Se-Y
  • Density: 5.5403481271275
  • Atomic Density: 0.04022838688656456
  • Unit Cell Volume: 994.3227431115107
  • Molar Volume: 14.969878799717096
  • Full Formula: Y16 Se24
  • Reduced Formula: Y2Se3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -272.15018474
  • Final energy per atom: -6.803754618499999
  • 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.