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  1. Third-Parties
  2. MatprojStructure
  3. mp-684802

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-684802
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 35
  • Number of elements: 4
  • Element list: ['Sr', 'La', 'Ru', 'O']
  • Chemical System: La-O-Ru-Sr
  • Density: 5.4445726421009875
  • Atomic Density: 0.06531939817600119
  • Unit Cell Volume: 535.8285743186661
  • Molar Volume: 9.219528850791797
  • Full Formula: Sr8 La3 Ru3 O21
  • Reduced Formula: Sr8La3(RuO7)3
  • Formula Anonymous: A3B3C8D21
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -256.61280645
  • Final energy per atom: -7.33179447
  • 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.