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  1. Third-Parties
  2. MatprojStructure
  3. mp-1521123

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-1521123
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Y', 'Bi', 'O']
  • Chemical System: Bi-Ca-O-Sr-Y
  • Density: 5.741708038275116
  • Atomic Density: 0.06629343711517177
  • Unit Cell Volume: 301.68898868909065
  • Molar Volume: 9.08406777813876
  • Full Formula: Sr2 Ca2 Y2 Bi2 O12
  • Reduced Formula: SrCaYBiO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 118
  • Spacegroup Symbol: P-4n2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -142.93971547
  • Final energy per atom: -7.146985773500001
  • 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.