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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196748

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-1196748
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'H', 'Se', 'O']
  • Chemical System: H-Li-Mn-O-Se
  • Density: 3.5225377990651356
  • Atomic Density: 0.07465260028865957
  • Unit Cell Volume: 562.6059887746495
  • Molar Volume: 8.066886801952188
  • Full Formula: Li1 Mn3 H6 Se8 O24
  • Reduced Formula: LiMn3H6(SeO3)8
  • Formula Anonymous: AB3C6D8E24
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -256.6682017
  • Final energy per atom: -6.11114765952381
  • 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.