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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173168

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-1173168
  • 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: 50
  • Number of elements: 5
  • Element list: ['Sr', 'La', 'Ta', 'Ni', 'O']
  • Chemical System: La-Ni-O-Sr-Ta
  • Density: 7.203270808180072
  • Atomic Density: 0.0771646287278884
  • Unit Cell Volume: 647.9652766336616
  • Molar Volume: 7.804276206960498
  • Full Formula: Sr5 La5 Ta5 Ni5 O30
  • Reduced Formula: SrLaTaNiO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -425.97549105
  • Final energy per atom: -8.519509821
  • 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.