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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228201

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-1228201
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 5
  • Element list: ['Ba', 'Sr', 'Lu', 'Bi', 'O']
  • Chemical System: Ba-Bi-Lu-O-Sr
  • Density: 7.665807226069695
  • Atomic Density: 0.06398772346064235
  • Unit Cell Volume: 468.8399333108395
  • Molar Volume: 9.41140024102296
  • Full Formula: Ba4 Sr2 Lu3 Bi3 O18
  • Reduced Formula: Ba4Sr2Lu3(BiO6)3
  • Formula Anonymous: A2B3C3D4E18
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -211.26549413
  • Final energy per atom: -7.042183137666667
  • 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.