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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211803

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-1211803
  • 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: 28
  • Number of elements: 3
  • Element list: ['K', 'Au', 'Br']
  • Chemical System: Au-Br-K
  • Density: 4.674137658352493
  • Atomic Density: 0.0292465954607056
  • Unit Cell Volume: 957.3763906167995
  • Molar Volume: 20.59091208783968
  • Full Formula: K6 Au6 Br16
  • Reduced Formula: K3Au3Br8
  • Formula Anonymous: A3B3C8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -85.44402169
  • Final energy per atom: -3.0515722032142856
  • 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.