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  1. Third-Parties
  2. MatprojStructure
  3. mp-850535

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-850535
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 160
  • Number of elements: 5
  • Element list: ['K', 'Mn', 'H', 'S', 'O']
  • Chemical System: H-K-Mn-O-S
  • Density: 2.5340324882819414
  • Atomic Density: 0.08509411313668697
  • Unit Cell Volume: 1880.2710798923476
  • Molar Volume: 7.077035693793078
  • Full Formula: K8 Mn12 H40 S16 O84
  • Reduced Formula: K2Mn3H10S4O21
  • Formula Anonymous: A2B3C4D10E21
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1023.49325121
  • Final energy per atom: -6.3968328200625
  • 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.