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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219445

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-1219445
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Sc', 'Ta', 'Fe', 'P']
  • Chemical System: Fe-P-Sc-Ta
  • Density: 6.894135653628254
  • Atomic Density: 0.08333530333473814
  • Unit Cell Volume: 431.98978775413514
  • Molar Volume: 7.226398079827572
  • Full Formula: Sc4 Ta1 Fe19 P12
  • Reduced Formula: Sc4TaFe19P12
  • Formula Anonymous: AB4C12D19
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -290.87288974
  • Final energy per atom: -8.079802492777779
  • 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.