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  1. Third-Parties
  2. MatprojStructure
  3. mp-571264

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-571264
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 2
  • Element list: ['Ca', 'Au']
  • Chemical System: Au-Ca
  • Density: 6.762771244146371
  • Atomic Density: 0.03708929073029589
  • Unit Cell Volume: 485.31529305565664
  • Molar Volume: 16.23687226534342
  • Full Formula: Ca10 Au8
  • Reduced Formula: Ca5Au4
  • Formula Anonymous: A4B5
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -59.99883871
  • Final energy per atom: -3.3332688172222222
  • 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.