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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204171

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-1204171
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 2
  • Element list: ['Tb', 'N']
  • Chemical System: N-Tb
  • Density: 7.119654607644628
  • Atomic Density: 0.059570771266570385
  • Unit Cell Volume: 671.4702386679857
  • Molar Volume: 10.109220733523511
  • Full Formula: Tb16 N24
  • Reduced Formula: Tb2N3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 206
  • Spacegroup Symbol: Ia-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -301.55414707
  • Final energy per atom: -7.53885367675
  • 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.