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  1. Third-Parties
  2. MatprojStructure
  3. mp-1190102

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-1190102
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Li', 'Y', 'B', 'H']
  • Chemical System: B-H-Li-Y
  • Density: 1.03217957608671
  • Atomic Density: 0.08810226409898152
  • Unit Cell Volume: 249.70981421411992
  • Molar Volume: 6.835398410685814
  • Full Formula: Li1 Y1 B4 H16
  • Reduced Formula: LiY(BH4)4
  • Formula Anonymous: ABC4D16
  • Spacegroup Number: 111
  • Spacegroup Symbol: P-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -98.60095321
  • Final energy per atom: -4.481861509545454
  • 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.