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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196171

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-1196171
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 5
  • Element list: ['Li', 'Sc', 'H', 'Se', 'O']
  • Chemical System: H-Li-O-Sc-Se
  • Density: 3.04093288500042
  • Atomic Density: 0.07351668207842553
  • Unit Cell Volume: 1414.6449086080318
  • Molar Volume: 8.19152958178356
  • Full Formula: Li8 Sc8 H16 Se16 O56
  • Reduced Formula: LiScH2Se2O7
  • Formula Anonymous: ABC2D2E7
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -658.60617661
  • Final energy per atom: -6.332751698173078
  • 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.