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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227532

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-1227532
  • 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: 20
  • Number of elements: 5
  • Element list: ['Ba', 'Sr', 'Lu', 'Bi', 'O']
  • Chemical System: Ba-Bi-Lu-O-Sr
  • Density: 7.56621390854916
  • Atomic Density: 0.0646409418214836
  • Unit Cell Volume: 309.4014325353308
  • Molar Volume: 9.316294890367029
  • Full Formula: Ba2 Sr2 Lu2 Bi2 O12
  • Reduced Formula: BaSrLuBiO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -140.73926379
  • Final energy per atom: -7.0369631895
  • 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.