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  1. Third-Parties
  2. MatprojStructure
  3. mp-1265521

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-1265521
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 4
  • Element list: ['Y', 'Cu', 'Si', 'Se']
  • Chemical System: Cu-Se-Si-Y
  • Density: 5.160851818551606
  • Atomic Density: 0.04135167367230947
  • Unit Cell Volume: 1644.4316266099572
  • Molar Volume: 14.563233420060183
  • Full Formula: Y14 Cu6 Si6 Se42
  • Reduced Formula: Y7Cu3(SiSe7)3
  • Formula Anonymous: A3B3C7D21
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -382.35170658
  • Final energy per atom: -5.622819214411765
  • 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.