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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197331

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-1197331
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 4
  • Element list: ['Ho', 'Al', 'H', 'C']
  • Chemical System: Al-C-H-Ho
  • Density: 1.097534889200814
  • Atomic Density: 0.08062473044178228
  • Unit Cell Volume: 1289.9267933068822
  • Molar Volume: 7.469346845566799
  • Full Formula: Ho2 Al6 H72 C24
  • Reduced Formula: HoAl3(H3C)12
  • Formula Anonymous: AB3C12D36
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -515.40334489
  • Final energy per atom: -4.955801393173076
  • 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.