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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220741

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-1220741
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 4
  • Element list: ['Na', 'La', 'Ta', 'O']
  • Chemical System: La-Na-O-Ta
  • Density: 6.308099835878077
  • Atomic Density: 0.06572500674051816
  • Unit Cell Volume: 167.3639995721555
  • Molar Volume: 9.16263239618273
  • Full Formula: Na1 La1 Ta2 O7
  • Reduced Formula: NaLaTa2O7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -101.70538893
  • Final energy per atom: -9.245944448181818
  • 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.