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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228053

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-1228053
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 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: 7.678248358768787
  • Atomic Density: 0.06336396518989458
  • Unit Cell Volume: 315.6368125015895
  • Molar Volume: 9.504046569611496
  • Full Formula: Ba3 Sr1 Lu2 Bi2 O12
  • Reduced Formula: Ba3SrLu2(BiO6)2
  • Formula Anonymous: AB2C2D3E12
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -140.62471478
  • Final energy per atom: -7.031235739
  • 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.