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  1. Third-Parties
  2. MatprojStructure
  3. mp-746688

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-746688
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 132
  • Number of elements: 5
  • Element list: ['K', 'Mn', 'H', 'S', 'O']
  • Chemical System: H-K-Mn-O-S
  • Density: 2.3894527361366262
  • Atomic Density: 0.07494261934502214
  • Unit Cell Volume: 1761.3475636913101
  • Molar Volume: 8.035668905933436
  • Full Formula: K16 Mn4 H24 S16 O72
  • Reduced Formula: K4MnH6(S2O9)2
  • Formula Anonymous: AB4C4D6E18
  • Spacegroup Number: 56
  • Spacegroup Symbol: Pccn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -798.87643142
  • Final energy per atom: -6.052094177424243
  • 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.