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  1. Third-Parties
  2. MatprojStructure
  3. mp-570857

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-570857
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Y', 'Al', 'Cl']
  • Chemical System: Al-Cl-Y
  • Density: 1.835108641832773
  • Atomic Density: 0.02970343373078843
  • Unit Cell Volume: 1615.9747871252566
  • Molar Volume: 20.274224234748605
  • Full Formula: Y3 Al9 Cl36
  • Reduced Formula: Y(AlCl4)3
  • Formula Anonymous: AB3C12
  • Spacegroup Number: 151
  • Spacegroup Symbol: P3_112
  • Crystal System: trigonal
  • Pointgroup: 312

Thermodynamics:

  • Final energy: -223.88820335000003
  • Final energy per atom: -4.664337569791667
  • 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.