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  1. Third-Parties
  2. MatprojStructure
  3. mp-531197

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-531197
  • 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: 52
  • Number of elements: 3
  • Element list: ['Sr', 'Re', 'O']
  • Chemical System: O-Re-Sr
  • Density: 6.44991874002859
  • Atomic Density: 0.06389868302993212
  • Unit Cell Volume: 813.7882900597747
  • Molar Volume: 9.424514676114754
  • Full Formula: Sr4 Re12 O36
  • Reduced Formula: Sr(ReO3)3
  • Formula Anonymous: AB3C9
  • Spacegroup Number: 34
  • Spacegroup Symbol: Pnn2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -451.1317603300001
  • Final energy per atom: -8.675610775576924
  • 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.