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  1. Third-Parties
  2. MatprojStructure
  3. mp-560768

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-560768
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 136
  • Number of elements: 4
  • Element list: ['Na', 'Sr', 'B', 'O']
  • Chemical System: B-Na-O-Sr
  • Density: 4.068445706036288
  • Atomic Density: 0.07574373321046263
  • Unit Cell Volume: 1795.528081803262
  • Molar Volume: 7.950678564082381
  • Full Formula: Na8 Sr32 B24 O72
  • Reduced Formula: NaSr4(BO3)3
  • Formula Anonymous: AB3C4D9
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -1003.46965654
  • Final energy per atom: -7.3784533569117645
  • 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.