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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228395

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-1228395
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 5
  • Element list: ['Ba', 'Sm', 'Al', 'Cu', 'O']
  • Chemical System: Al-Ba-Cu-O-Sm
  • Density: 6.357803146303289
  • Atomic Density: 0.06829432136643902
  • Unit Cell Volume: 556.415222227742
  • Molar Volume: 8.817923129637217
  • Full Formula: Ba6 Sm3 Al1 Cu8 O20
  • Reduced Formula: Ba6Sm3Al(Cu2O5)4
  • Formula Anonymous: AB3C6D8E20
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -248.31294461
  • Final energy per atom: -6.534551173947368
  • 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.