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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223775

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-1223775
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['La', 'H', 'S', 'N', 'O']
  • Chemical System: H-La-N-O-S
  • Density: 2.761523512713604
  • Atomic Density: 0.085650301076041
  • Unit Cell Volume: 513.7168164877372
  • Molar Volume: 7.0310794992460055
  • Full Formula: La2 H12 S6 N6 O18
  • Reduced Formula: LaH6S3(NO3)3
  • Formula Anonymous: AB3C3D6E9
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -280.72193633
  • Final energy per atom: -6.3800440075000004
  • 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.