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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196446

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-1196446
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 128
  • Number of elements: 5
  • Element list: ['Li', 'As', 'H', 'S', 'O']
  • Chemical System: As-H-Li-O-S
  • Density: 1.7108019546839994
  • Atomic Density: 0.0895577421056336
  • Unit Cell Volume: 1429.2455011764773
  • Molar Volume: 6.724310616157416
  • Full Formula: Li12 As4 H64 S16 O32
  • Reduced Formula: Li3AsH16(SO2)4
  • Formula Anonymous: AB3C4D8E16
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -640.69643782
  • Final energy per atom: -5.00544092046875
  • 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.