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  1. Third-Parties
  2. MatprojStructure
  3. mp-1103389

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-1103389
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Sr', 'Ta', 'Zn', 'O']
  • Chemical System: O-Sr-Ta-Zn
  • Density: 6.897562476196847
  • Atomic Density: 0.0746945262597777
  • Unit Cell Volume: 200.8179280477927
  • Molar Volume: 8.062358865569065
  • Full Formula: Sr3 Ta2 Zn1 O9
  • Reduced Formula: Sr3Ta2ZnO9
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -122.98286317000002
  • Final energy per atom: -8.198857544666668
  • 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.