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  1. Third-Parties
  2. MatprojStructure
  3. mp-15123

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-15123
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Th', 'Al', 'C']
  • Chemical System: Al-C-Th
  • Density: 5.667683036292505
  • Atomic Density: 0.07916977115213594
  • Unit Cell Volume: 113.67975262559776
  • Molar Volume: 7.606616354148103
  • Full Formula: Th1 Al4 C4
  • Reduced Formula: Th(AlC)4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -61.10529376
  • Final energy per atom: -6.789477084444445
  • 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.