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  1. Third-Parties
  2. MatprojStructure
  3. mp-756799

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-756799
  • 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: 19
  • Number of elements: 4
  • Element list: ['Ti', 'Nb', 'Cu', 'O']
  • Chemical System: Cu-Nb-O-Ti
  • Density: 5.156910962084672
  • Atomic Density: 0.08884028399162848
  • Unit Cell Volume: 213.8669435342011
  • Molar Volume: 6.778614936178585
  • Full Formula: Ti2 Nb2 Cu3 O12
  • Reduced Formula: Ti2Nb2(CuO4)3
  • Formula Anonymous: A2B2C3D12
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -154.22289968
  • Final energy per atom: -8.116994720000001
  • 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.