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  1. Third-Parties
  2. MatprojStructure
  3. mp-3245

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-3245
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Sn', 'P', 'Au']
  • Chemical System: Au-P-Sn
  • Density: 6.998384627114075
  • Atomic Density: 0.05004153706084362
  • Unit Cell Volume: 439.6347772701512
  • Molar Volume: 12.034284144145905
  • Full Formula: Sn2 P14 Au6
  • Reduced Formula: SnP7Au3
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -105.73378102
  • Final energy per atom: -4.806080955454545
  • 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.