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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208220

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-1208220
  • 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: 18
  • Number of elements: 3
  • Element list: ['Ti', 'Sn', 'Au']
  • Chemical System: Au-Sn-Ti
  • Density: 7.761314275833481
  • Atomic Density: 0.05308439997427343
  • Unit Cell Volume: 339.08266851887623
  • Molar Volume: 11.344464217206074
  • Full Formula: Ti10 Sn6 Au2
  • Reduced Formula: Ti5Sn3Au
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -116.20151632
  • Final energy per atom: -6.455639795555555
  • 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.