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  1. Third-Parties
  2. MatprojStructure
  3. mp-699450

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-699450
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['Li', 'H', 'S', 'N', 'O']
  • Chemical System: H-Li-N-O-S
  • Density: 1.8097435471226708
  • Atomic Density: 0.08462677671992246
  • Unit Cell Volume: 756.261817838247
  • Molar Volume: 7.116117372555316
  • Full Formula: Li8 H16 S8 N8 O24
  • Reduced Formula: LiH2SNO3
  • Formula Anonymous: ABCD2E3
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -377.32153819
  • Final energy per atom: -5.89564903421875
  • 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.