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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224197

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-1224197
  • 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: 24
  • Number of elements: 5
  • Element list: ['K', 'Sn', 'S', 'Br', 'O']
  • Chemical System: Br-K-O-S-Sn
  • Density: 3.2087755689559043
  • Atomic Density: 0.04006211649724545
  • Unit Cell Volume: 599.06969722007
  • Molar Volume: 15.032008507124342
  • Full Formula: K6 Sn4 S6 Br2 O6
  • Reduced Formula: K3Sn2S3BrO3
  • Formula Anonymous: AB2C3D3E3
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -106.51480355
  • Final energy per atom: -4.438116814583333
  • 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.