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  1. Third-Parties
  2. MatprojStructure
  3. mp-504426

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-504426
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['Li', 'H', 'S', 'N', 'O']
  • Chemical System: H-Li-N-O-S
  • Density: 1.9100166461302461
  • Atomic Density: 0.10990348752533877
  • Unit Cell Volume: 473.14240130925015
  • Molar Volume: 5.479481038862909
  • Full Formula: Li4 H20 S4 N8 O16
  • Reduced Formula: LiH5S(NO2)2
  • Formula Anonymous: ABC2D4E5
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -300.85365913
  • Final energy per atom: -5.785647290961538
  • 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.