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  1. Third-Parties
  2. MatprojStructure
  3. mp-22274

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-22274
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ho', 'Ti', 'Si']
  • Chemical System: Ho-Si-Ti
  • Density: 6.561676532440618
  • Atomic Density: 0.04921314817752685
  • Unit Cell Volume: 121.9186380508755
  • Molar Volume: 12.236853326831072
  • Full Formula: Ho2 Ti2 Si2
  • Reduced Formula: HoTiSi
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -39.61641055
  • Final energy per atom: -6.602735091666666
  • 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.