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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228243

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-1228243
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 5
  • Element list: ['Ba', 'Sr', 'Y', 'Sb', 'O']
  • Chemical System: Ba-O-Sb-Sr-Y
  • Density: 5.968613023739477
  • Atomic Density: 0.06556959854454235
  • Unit Cell Volume: 457.52910900652506
  • Molar Volume: 9.184348987448924
  • Full Formula: Ba4 Sr2 Y3 Sb3 O18
  • Reduced Formula: Ba4Sr2Y3(SbO6)3
  • Formula Anonymous: A2B3C3D4E18
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -223.9929797
  • Final energy per atom: -7.466432656666667
  • 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.