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  1. Third-Parties
  2. MatprojStructure
  3. mp-1235654

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-1235654
  • 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: 21
  • Number of elements: 6
  • Element list: ['Sr', 'Li', 'Pr', 'Fe', 'Ru', 'O']
  • Chemical System: Fe-Li-O-Pr-Ru-Sr
  • Density: 6.188762207091044
  • Atomic Density: 0.08070180719653308
  • Unit Cell Volume: 260.2172210203262
  • Molar Volume: 7.4622130150496915
  • Full Formula: Sr2 Li1 Pr2 Fe2 Ru2 O12
  • Reduced Formula: Sr2LiPr2Fe2(RuO6)2
  • Formula Anonymous: AB2C2D2E2F12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -158.51571884
  • Final energy per atom: -7.548367563809524
  • 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.