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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201536

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-1201536
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 74
  • Number of elements: 3
  • Element list: ['K', 'Sn', 'Au']
  • Chemical System: Au-K-Sn
  • Density: 8.226636507720908
  • Atomic Density: 0.03608145780445818
  • Unit Cell Volume: 2050.9149159393623
  • Molar Volume: 16.690403122392443
  • Full Formula: K24 Sn8 Au42
  • Reduced Formula: K12Sn4Au21
  • Formula Anonymous: A4B12C21
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -221.85996947
  • Final energy per atom: -2.998107695540541
  • 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.