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  1. Third-Parties
  2. MatprojStructure
  3. mp-779330

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-779330
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'H', 'S', 'O']
  • Chemical System: H-Li-Mn-O-S
  • Density: 2.029346556398081
  • Atomic Density: 0.0917475752878916
  • Unit Cell Volume: 1089.9470605758615
  • Molar Volume: 6.563814619736085
  • Full Formula: Li8 Mn4 H32 S8 O48
  • Reduced Formula: Li2MnH8(SO6)2
  • Formula Anonymous: AB2C2D8E12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -601.06563399
  • Final energy per atom: -6.010656339900001
  • 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.