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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212315

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-1212315
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Li', 'P', 'H', 'S', 'N']
  • Chemical System: H-Li-N-P-S
  • Density: 1.3427304737814196
  • Atomic Density: 0.04834280137808224
  • Unit Cell Volume: 579.1968856131432
  • Molar Volume: 12.457161331842741
  • Full Formula: Li2 P2 H4 S6 N14
  • Reduced Formula: LiPH2S3N7
  • Formula Anonymous: ABC2D3E7
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -121.65228423
  • Final energy per atom: -4.3447244367857145
  • 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.