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  1. Third-Parties
  2. MatprojStructure
  3. mp-32727

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-32727
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 2
  • Element list: ['Y', 'Se']
  • Chemical System: Se-Y
  • Density: 5.078439377789592
  • Atomic Density: 0.036748564582711564
  • Unit Cell Volume: 761.9345222853318
  • Molar Volume: 16.38741765394866
  • Full Formula: Y12 Se16
  • Reduced Formula: Y3Se4
  • Formula Anonymous: A3B4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -192.71742515
  • Final energy per atom: -6.882765183928571
  • 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.