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  1. Third-Parties
  2. MatprojStructure
  3. mp-27181

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-27181
  • 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: 24
  • Number of elements: 3
  • Element list: ['K', 'Au', 'Cl']
  • Chemical System: Au-Cl-K
  • Density: 3.3682413539902445
  • Atomic Density: 0.032207354117341276
  • Unit Cell Volume: 745.1714261457379
  • Molar Volume: 18.69803007741491
  • Full Formula: K4 Au4 Cl16
  • Reduced Formula: KAuCl4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -78.8409231
  • Final energy per atom: -3.2850384624999998
  • 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.