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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228700

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-1228700
  • 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: 45
  • Number of elements: 4
  • Element list: ['Ba', 'Sr', 'Nb', 'O']
  • Chemical System: Ba-Nb-O-Sr
  • Density: 4.960707274240572
  • Atomic Density: 0.06906201837842546
  • Unit Cell Volume: 651.588254392196
  • Molar Volume: 8.719902634472206
  • Full Formula: Ba2 Sr3 Nb10 O30
  • Reduced Formula: Ba2Sr3Nb10O30
  • Formula Anonymous: A2B3C10D30
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -401.7424953600001
  • Final energy per atom: -8.927611008000001
  • 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.