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  1. Third-Parties
  2. MatprojStructure
  3. mp-559484

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-559484
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 3
  • Element list: ['Ba', 'Os', 'O']
  • Chemical System: Ba-O-Os
  • Density: 6.733775540697425
  • Atomic Density: 0.05955625961304704
  • Unit Cell Volume: 1309.6860096115317
  • Molar Volume: 10.111683976004302
  • Full Formula: Ba22 Os8 O48
  • Reduced Formula: Ba11(OsO6)4
  • Formula Anonymous: A4B11C24
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -566.40972541
  • Final energy per atom: -7.261663146282051
  • 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.