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  1. Third-Parties
  2. MatprojStructure
  3. mp-1046715

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-1046715
  • 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: 22
  • Number of elements: 3
  • Element list: ['Ti', 'Zn', 'O']
  • Chemical System: O-Ti-Zn
  • Density: 5.321500196004296
  • Atomic Density: 0.09989844961495588
  • Unit Cell Volume: 220.22363795229873
  • Molar Volume: 6.028262483763732
  • Full Formula: Ti8 Zn2 O12
  • Reduced Formula: Ti4ZnO6
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -185.73740623
  • Final energy per atom: -8.442609374090909
  • 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.