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  1. Third-Parties
  2. MatprojStructure
  3. mp-722623

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-722623
  • 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: 125
  • Number of elements: 3
  • Element list: ['Li', 'Be', 'H']
  • Chemical System: Be-H-Li
  • Density: 0.8150208289237363
  • Atomic Density: 0.08645086458997206
  • Unit Cell Volume: 1445.9080379688821
  • Molar Volume: 6.965969384531227
  • Full Formula: Li66 Be24 H35
  • Reduced Formula: Li66Be24H35
  • Formula Anonymous: A24B35C66
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -341.66327315
  • Final energy per atom: -2.7333061852
  • 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.