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  1. Third-Parties
  2. MatprojStructure
  3. mp-1020598

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-1020598
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Y', 'Si', 'S', 'O']
  • Chemical System: O-S-Si-Y
  • Density: 4.330495561843527
  • Atomic Density: 0.06730187454278405
  • Unit Cell Volume: 950.9393376452681
  • Molar Volume: 8.947953977376518
  • Full Formula: Y16 Si8 S12 O28
  • Reduced Formula: Y4Si2S3O7
  • Formula Anonymous: A2B3C4D7
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -542.89452209
  • Final energy per atom: -8.48272690765625
  • 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.