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  1. Third-Parties
  2. MatprojStructure
  3. mp-647158

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-647158
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 3
  • Element list: ['Sr', 'Te', 'O']
  • Chemical System: O-Sr-Te
  • Density: 4.6347220430541824
  • Atomic Density: 0.05301865246474692
  • Unit Cell Volume: 2263.3543936219467
  • Molar Volume: 11.35853229012984
  • Full Formula: Sr24 Te24 O72
  • Reduced Formula: SrTeO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -757.28766753
  • Final energy per atom: -6.31073056275
  • 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.