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  1. Third-Parties
  2. MatprojStructure
  3. mp-30334

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-30334
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 2
  • Element list: ['Th', 'Al']
  • Chemical System: Al-Th
  • Density: 5.789413931706481
  • Atomic Density: 0.048056280740397875
  • Unit Cell Volume: 374.5608216590207
  • Molar Volume: 12.53143328451044
  • Full Formula: Th4 Al14
  • Reduced Formula: Th2Al7
  • Formula Anonymous: A2B7
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -88.19762221
  • Final energy per atom: -4.899867900555556
  • 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.