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  1. Third-Parties
  2. MatprojStructure
  3. mp-1521131

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-1521131
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Ba', 'Ca', 'Gd', 'Sb', 'O']
  • Chemical System: Ba-Ca-Gd-O-Sb
  • Density: 6.15750628694764
  • Atomic Density: 0.06712636560975782
  • Unit Cell Volume: 595.8910427616746
  • Molar Volume: 8.971349342834959
  • Full Formula: Ba4 Ca4 Gd4 Sb4 O24
  • Reduced Formula: BaCaGdSbO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 48
  • Spacegroup Symbol: Pnnn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -328.22646395999993
  • Final energy per atom: -8.205661598999999
  • 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.