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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211217

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-1211217
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 3
  • Element list: ['Li', 'Al', 'Cu']
  • Chemical System: Al-Cu-Li
  • Density: 3.732726047255823
  • Atomic Density: 0.0673790589231517
  • Unit Cell Volume: 801.4359485428402
  • Molar Volume: 8.937703874535371
  • Full Formula: Li12 Al26 Cu16
  • Reduced Formula: Li6Al13Cu8
  • Formula Anonymous: A6B8C13
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -196.7017012
  • Final energy per atom: -3.6426240962962964
  • 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.