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  1. Third-Parties
  2. MatprojStructure
  3. mp-1020107

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-1020107
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['Li', 'Ca', 'Al', 'N']
  • Chemical System: Al-Ca-Li-N
  • Density: 2.9913101169301575
  • Atomic Density: 0.08811698945283689
  • Unit Cell Volume: 817.0955504390759
  • Molar Volume: 6.834256137658048
  • Full Formula: Li8 Ca8 Al24 N32
  • Reduced Formula: LiCaAl3N4
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -485.33652837
  • Final energy per atom: -6.74078511625
  • 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.