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  1. Third-Parties
  2. MatprojStructure
  3. mp-559854

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-559854
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 3
  • Element list: ['La', 'Ru', 'O']
  • Chemical System: La-O-Ru
  • Density: 6.571496564497729
  • Atomic Density: 0.07053469512195372
  • Unit Cell Volume: 935.7097225115486
  • Molar Volume: 8.537841908280434
  • Full Formula: La16 Ru8 O42
  • Reduced Formula: La8Ru4O21
  • Formula Anonymous: A4B8C21
  • Spacegroup Number: 185
  • Spacegroup Symbol: P6_3cm
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -555.3473106600001
  • Final energy per atom: -8.414353191818183
  • 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.