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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218111

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-1218111
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 3
  • Element list: ['Ta', 'Fe', 'Te']
  • Chemical System: Fe-Ta-Te
  • Density: 7.94370048369874
  • Atomic Density: 0.039641432539377505
  • Unit Cell Volume: 529.7487667515501
  • Molar Volume: 15.191531622924964
  • Full Formula: Ta4 Fe5 Te12
  • Reduced Formula: Ta4Fe5Te12
  • Formula Anonymous: A4B5C12
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -137.43676931
  • Final energy per atom: -6.544608062380952
  • 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.