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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222849

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-1222849
  • 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: 28
  • Number of elements: 5
  • Element list: ['Li', 'Sc', 'P', 'H', 'O']
  • Chemical System: H-Li-O-P-Sc
  • Density: 2.701495466019668
  • Atomic Density: 0.09118231391932086
  • Unit Cell Volume: 307.07709419147574
  • Molar Volume: 6.604505304974449
  • Full Formula: Li4 Sc2 P4 H2 O16
  • Reduced Formula: Li2ScP2HO8
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -208.0682607
  • Final energy per atom: -7.431009310714286
  • 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.