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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192626

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-1192626
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 27
  • Number of elements: 3
  • Element list: ['Th', 'Al', 'Ni']
  • Chemical System: Al-Ni-Th
  • Density: 6.02792527292246
  • Atomic Density: 0.06732877920817576
  • Unit Cell Volume: 401.01722201910025
  • Molar Volume: 8.944378363641457
  • Full Formula: Th2 Al15 Ni10
  • Reduced Formula: Th2(Al3Ni2)5
  • Formula Anonymous: A2B10C15
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -142.85358572
  • Final energy per atom: -5.290873545185185
  • 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.