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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217946

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-1217946
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Ta', 'Fe', 'O']
  • Chemical System: Fe-O-Ta
  • Density: 7.223712531905415
  • Atomic Density: 0.08677577899129754
  • Unit Cell Volume: 207.43115428333016
  • Molar Volume: 6.939886717241618
  • Full Formula: Ta3 Fe3 O12
  • Reduced Formula: TaFeO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 35
  • Spacegroup Symbol: Cmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -167.96969103000004
  • Final energy per atom: -9.331649501666668
  • 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.