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  1. Third-Parties
  2. MatprojStructure
  3. mp-695536

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-695536
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 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: 2.7629891792620347
  • Atomic Density: 0.08569575959941486
  • Unit Cell Volume: 513.4443081627161
  • Molar Volume: 7.02734976403794
  • Full Formula: La2 H12 S6 N6 O18
  • Reduced Formula: LaH6S3(NO3)3
  • Formula Anonymous: AB3C3D6E9
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -280.51364712
  • Final energy per atom: -6.375310161818181
  • 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.