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  1. Third-Parties
  2. MatprojStructure
  3. mp-697905

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-697905
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 4
  • Element list: ['La', 'Mg', 'Ni', 'H']
  • Chemical System: H-La-Mg-Ni
  • Density: 3.947381791359769
  • Atomic Density: 0.10324724874797438
  • Unit Cell Volume: 852.3229535617672
  • Molar Volume: 5.832737271963529
  • Full Formula: La8 Mg16 Ni8 H56
  • Reduced Formula: LaMg2NiH7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -342.4568363
  • Final energy per atom: -3.8915549579545456
  • 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.