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  1. Third-Parties
  2. MatprojStructure
  3. mp-867805

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-867805
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Li', 'Ca', 'Ga']
  • Chemical System: Ca-Ga-Li
  • Density: 2.481138243360147
  • Atomic Density: 0.0381118830549611
  • Unit Cell Volume: 104.9541423663482
  • Molar Volume: 15.801215466880707
  • Full Formula: Li1 Ca2 Ga1
  • Reduced Formula: LiCa2Ga
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -10.03092264
  • Final energy per atom: -2.50773066
  • 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.