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  1. Third-Parties
  2. MatprojStructure
  3. mp-32850

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-32850
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 2
  • Element list: ['Tm', 'Se']
  • Chemical System: Se-Tm
  • Density: 7.970957965737156
  • Atomic Density: 0.041759341311717706
  • Unit Cell Volume: 957.8695147850899
  • Molar Volume: 14.421062619371781
  • Full Formula: Tm16 Se24
  • Reduced Formula: Tm2Se3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -238.04121469
  • Final energy per atom: -5.9510303672500005
  • 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.