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  1. Third-Parties
  2. MatprojStructure
  3. mp-11644

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-11644
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['Li', 'Ca']
  • Chemical System: Ca-Li
  • Density: 1.077138599119172
  • Atomic Density: 0.03606382652427645
  • Unit Cell Volume: 166.37169646878948
  • Molar Volume: 16.698562910250754
  • Full Formula: Li4 Ca2
  • Reduced Formula: Li2Ca
  • Formula Anonymous: AB2
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -11.71656887
  • Final energy per atom: -1.9527614783333334
  • 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.