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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228577

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-1228577
  • 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: 40
  • Number of elements: 5
  • Element list: ['Ba', 'Na', 'Sr', 'Sb', 'O']
  • Chemical System: Ba-Na-O-Sb-Sr
  • Density: 5.927341746993309
  • Atomic Density: 0.06930070129107034
  • Unit Cell Volume: 577.1947361974842
  • Molar Volume: 8.689869868280795
  • Full Formula: Ba4 Na2 Sr4 Sb6 O24
  • Reduced Formula: Ba2NaSr2(SbO4)3
  • Formula Anonymous: AB2C2D3E12
  • Spacegroup Number: 118
  • Spacegroup Symbol: P-4n2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -261.85182271
  • Final energy per atom: -6.5462955677500005
  • 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.