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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224526

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-1224526
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 86
  • Number of elements: 5
  • Element list: ['K', 'Sb', 'H', 'S', 'O']
  • Chemical System: H-K-O-S-Sb
  • Density: 2.112122227297128
  • Atomic Density: 0.06098999977593463
  • Unit Cell Volume: 1410.0672293154162
  • Molar Volume: 9.873980623256553
  • Full Formula: K12 Sb4 H36 S16 O18
  • Reduced Formula: K6Sb2H18S8O9
  • Formula Anonymous: A2B6C8D9E18
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -411.07603064000006
  • Final energy per atom: -4.779953844651163
  • 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.