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  1. Third-Parties
  2. MatprojStructure
  3. mp-1518683

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-1518683
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 5
  • Element list: ['Sr', 'Nd', 'Zr', 'Ti', 'O']
  • Chemical System: Nd-O-Sr-Ti-Zr
  • Density: 5.795850604864904
  • Atomic Density: 0.07474777390974156
  • Unit Cell Volume: 133.783248342286
  • Molar Volume: 8.056615528472829
  • Full Formula: Sr1 Nd1 Zr1 Ti1 O6
  • Reduced Formula: SrNdZrTiO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -87.43624166000001
  • Final energy per atom: -8.743624166
  • 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.