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  1. Third-Parties
  2. MatprojStructure
  3. mp-644271

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-644271
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Li', 'H', 'S']
  • Chemical System: H-Li-S
  • Density: 1.3835331107281414
  • Atomic Density: 0.06246696382664269
  • Unit Cell Volume: 96.05077039843177
  • Molar Volume: 9.640520990763289
  • Full Formula: Li2 H2 S2
  • Reduced Formula: LiHS
  • Formula Anonymous: ABC
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -24.48778882
  • Final energy per atom: -4.081298136666667
  • 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.