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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217596

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-1217596
  • 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: 12
  • Number of elements: 3
  • Element list: ['Tb', 'Al', 'Ni']
  • Chemical System: Al-Ni-Tb
  • Density: 4.655154391789935
  • Atomic Density: 0.061069826784678614
  • Unit Cell Volume: 196.49638179439862
  • Molar Volume: 9.861073916638082
  • Full Formula: Tb1 Al8 Ni3
  • Reduced Formula: TbAl8Ni3
  • Formula Anonymous: AB3C8
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -55.56531563
  • Final energy per atom: -4.630442969166666
  • 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.