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  1. Third-Parties
  2. MatprojStructure
  3. mp-703275

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-703275
  • 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: 50
  • Number of elements: 5
  • Element list: ['Na', 'Sr', 'Nd', 'Ti', 'O']
  • Chemical System: Na-Nd-O-Sr-Ti
  • Density: 5.019762685190099
  • Atomic Density: 0.08310184412382447
  • Unit Cell Volume: 601.6713651444168
  • Molar Volume: 7.246699304322071
  • Full Formula: Na2 Sr6 Nd2 Ti10 O30
  • Reduced Formula: NaSr3NdTi5O15
  • Formula Anonymous: ABC3D5E15
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -423.99393169
  • Final energy per atom: -8.4798786338
  • 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.