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  1. Third-Parties
  2. MatprojStructure
  3. mp-1523308

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-1523308
  • 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: 40
  • Number of elements: 5
  • Element list: ['Ba', 'Sr', 'Gd', 'Sb', 'O']
  • Chemical System: Ba-Gd-O-Sb-Sr
  • Density: 6.504398783729566
  • Atomic Density: 0.06528907919903229
  • Unit Cell Volume: 612.6598887703854
  • Molar Volume: 9.22381022045301
  • Full Formula: Ba4 Sr4 Gd4 Sb4 O24
  • Reduced Formula: BaSrGdSbO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 16
  • Spacegroup Symbol: P222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -327.99657062999995
  • Final energy per atom: -8.19991426575
  • 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.