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  1. Third-Parties
  2. MatprojStructure
  3. mp-1040892

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-1040892
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Ti', 'Zn', 'O']
  • Chemical System: O-Ti-Zn
  • Density: 3.6597073118402905
  • Atomic Density: 0.07696973697285527
  • Unit Cell Volume: 363.77933849344834
  • Molar Volume: 7.824037078525829
  • Full Formula: Ti8 Zn2 O18
  • Reduced Formula: Ti4ZnO9
  • Formula Anonymous: AB4C9
  • Spacegroup Number: 85
  • Spacegroup Symbol: P4/n1
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -241.38584805
  • Final energy per atom: -8.620923144642857
  • 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.