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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216787

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-1216787
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Ti', 'Nb', 'Zn', 'O']
  • Chemical System: Nb-O-Ti-Zn
  • Density: 5.124044194692314
  • Atomic Density: 0.08670252681433897
  • Unit Cell Volume: 138.404270797047
  • Molar Volume: 6.945750004374787
  • Full Formula: Ti1 Nb2 Zn1 O8
  • Reduced Formula: TiNb2ZnO8
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -103.96134109
  • Final energy per atom: -8.663445090833333
  • 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.