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  1. Third-Parties
  2. MatprojStructure
  3. mp-4622

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-4622
  • 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: 42
  • Number of elements: 3
  • Element list: ['Li', 'Be', 'F']
  • Chemical System: Be-F-Li
  • Density: 2.059945688584188
  • Atomic Density: 0.08781364825446865
  • Unit Cell Volume: 478.28556078539543
  • Molar Volume: 6.857864215536161
  • Full Formula: Li12 Be6 F24
  • Reduced Formula: Li2BeF4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -232.59638486
  • Final energy per atom: -5.538009163333333
  • 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.