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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220892

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-1220892
  • 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: 20
  • Number of elements: 5
  • Element list: ['Na', 'Ti', 'Nb', 'Cu', 'O']
  • Chemical System: Cu-Na-Nb-O-Ti
  • Density: 5.047992514300289
  • Atomic Density: 0.09468431181397571
  • Unit Cell Volume: 211.2282342960213
  • Molar Volume: 6.3602307970844985
  • Full Formula: Na1 Ti3 Nb1 Cu3 O12
  • Reduced Formula: NaTi3Nb(CuO4)3
  • Formula Anonymous: ABC3D3E12
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -156.81253019
  • Final energy per atom: -7.8406265095
  • 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.