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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217949

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-1217949
  • 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: 14
  • Number of elements: 4
  • Element list: ['Ta', 'Nb', 'Fe', 'Se']
  • Chemical System: Fe-Nb-Se-Ta
  • Density: 6.231733479379731
  • Atomic Density: 0.04334225559818186
  • Unit Cell Volume: 323.0104157428133
  • Molar Volume: 13.894387075352439
  • Full Formula: Ta1 Nb2 Fe1 Se10
  • Reduced Formula: TaNb2FeSe10
  • Formula Anonymous: ABC2D10
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -88.79944942
  • Final energy per atom: -6.342817815714286
  • 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.