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  1. Third-Parties
  2. MatprojStructure
  3. mp-550514

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-550514
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['La', 'Ta', 'N', 'O']
  • Chemical System: La-N-O-Ta
  • Density: 9.057113041682872
  • Atomic Density: 0.07494955168967349
  • Unit Cell Volume: 133.42307958564874
  • Molar Volume: 8.034925658974592
  • Full Formula: La2 Ta2 N4 O2
  • Reduced Formula: LaTaN2O
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -99.01027112
  • Final energy per atom: -9.901027112
  • 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.