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  1. Third-Parties
  2. MatprojStructure
  3. mp-686697

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-686697
  • Created at: Sept. 4, 2022, 2:40 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: 5.065404726868022
  • Atomic Density: 0.0842282976130312
  • Unit Cell Volume: 593.624724907943
  • Molar Volume: 7.1497833040238215
  • Full Formula: Na3 Sr4 Nd3 Ti10 O30
  • Reduced Formula: Na3Sr4Nd3Ti10O30
  • Formula Anonymous: A3B3C4D10E30
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -425.41367267
  • Final energy per atom: -8.5082734534
  • 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.