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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199356

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-1199356
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 6
  • Element list: ['La', 'H', 'C', 'S', 'N', 'O']
  • Chemical System: C-H-La-N-O-S
  • Density: 2.7130329887056437
  • Atomic Density: 0.09101063776095555
  • Unit Cell Volume: 879.0181232453771
  • Molar Volume: 6.61696358596836
  • Full Formula: La4 H24 C8 S4 N4 O36
  • Reduced Formula: LaH6C2SNO9
  • Formula Anonymous: ABCD2E6F9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -540.5652286300001
  • Final energy per atom: -6.7570653578750015
  • 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.