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  1. Third-Parties
  2. MatprojStructure
  3. mp-1017579

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-1017579
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 2
  • Element list: ['In', 'Au']
  • Chemical System: Au-In
  • Density: 12.28280902309329
  • Atomic Density: 0.04507348324990562
  • Unit Cell Volume: 110.92996678951964
  • Molar Volume: 13.360717490172252
  • Full Formula: In2 Au3
  • Reduced Formula: In2Au3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -16.15040048
  • Final energy per atom: -3.2300800959999996
  • 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.