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  1. Third-Parties
  2. MatprojStructure
  3. mp-40685

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-40685
  • 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: 44
  • Number of elements: 5
  • Element list: ['Na', 'Sm', 'Ti', 'Sb', 'O']
  • Chemical System: Na-O-Sb-Sm-Ti
  • Density: 6.094661750533778
  • Atomic Density: 0.07784171188537924
  • Unit Cell Volume: 565.249644879205
  • Molar Volume: 7.736393013642241
  • Full Formula: Na2 Sm6 Ti4 Sb4 O28
  • Reduced Formula: NaSm3Ti2(SbO7)2
  • Formula Anonymous: AB2C2D3E14
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -354.85000449999995
  • Final energy per atom: -8.064772829545454
  • 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.