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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218052

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-1218052
  • 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: 16
  • Number of elements: 3
  • Element list: ['Ta', 'Nb', 'Si']
  • Chemical System: Nb-Si-Ta
  • Density: 9.880882707113992
  • Atomic Density: 0.06191148292082697
  • Unit Cell Volume: 258.43348027151865
  • Molar Volume: 9.727017470573552
  • Full Formula: Ta5 Nb5 Si6
  • Reduced Formula: Ta5Nb5Si6
  • Formula Anonymous: A5B5C6
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -151.57910575000002
  • Final energy per atom: -9.473694109375002
  • 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.