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  1. Third-Parties
  2. MatprojStructure
  3. mp-29796

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-29796
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Ho', 'Al', 'Cl']
  • Chemical System: Al-Cl-Ho
  • Density: 2.0716435623639455
  • Atomic Density: 0.02973460666550307
  • Unit Cell Volume: 1614.2806440983707
  • Molar Volume: 20.252969301883024
  • Full Formula: Ho3 Al9 Cl36
  • Reduced Formula: Ho(AlCl4)3
  • Formula Anonymous: AB3C12
  • Spacegroup Number: 151
  • Spacegroup Symbol: P3_112
  • Crystal System: trigonal
  • Pointgroup: 312

Thermodynamics:

  • Final energy: -218.18046904
  • Final energy per atom: -4.545426438333333
  • 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.