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  1. Third-Parties
  2. MatprojStructure
  3. mp-1250066

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-1250066
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 70
  • Number of elements: 4
  • Element list: ['Y', 'Cu', 'Si', 'S']
  • Chemical System: Cu-S-Si-Y
  • Density: 3.788109391442907
  • Atomic Density: 0.048113012840630534
  • Unit Cell Volume: 1454.9078485662058
  • Molar Volume: 12.51665693842065
  • Full Formula: Y16 Cu6 Si6 S42
  • Reduced Formula: Y8Cu3(SiS7)3
  • Formula Anonymous: A3B3C8D21
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -449.04754748
  • Final energy per atom: -6.414964964
  • 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.