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  1. Third-Parties
  2. MatprojStructure
  3. mp-24165

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-24165
  • 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: 20
  • Number of elements: 4
  • Element list: ['Li', 'H', 'Se', 'O']
  • Chemical System: H-Li-O-Se
  • Density: 2.439781874633817
  • Atomic Density: 0.08402802299723638
  • Unit Cell Volume: 238.0158343206264
  • Molar Volume: 7.1668242869382555
  • Full Formula: Li4 H4 Se2 O10
  • Reduced Formula: Li2H2SeO5
  • Formula Anonymous: AB2C2D5
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -111.09651037
  • Final energy per atom: -5.5548255185
  • 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.