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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245981

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-1245981
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Y', 'Pt', 'S']
  • Chemical System: Pt-S-Y
  • Density: 5.735630033364527
  • Atomic Density: 0.047946977286778776
  • Unit Cell Volume: 458.84018649214056
  • Molar Volume: 12.560000860910552
  • Full Formula: Y4 Pt4 S14
  • Reduced Formula: Y2Pt2S7
  • Formula Anonymous: A2B2C7
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -138.25264606
  • Final energy per atom: -6.2842111845454545
  • 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.