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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227647

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-1227647
  • 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: 14
  • Number of elements: 6
  • Element list: ['Ba', 'Sr', 'Y', 'Cu', 'Pb', 'O']
  • Chemical System: Ba-Cu-O-Pb-Sr-Y
  • Density: 6.535517524416207
  • Atomic Density: 0.06689549852375935
  • Unit Cell Volume: 209.28164538646203
  • Molar Volume: 9.002310907154849
  • Full Formula: Ba1 Sr1 Y1 Cu3 Pb1 O7
  • Reduced Formula: BaSrYCu3PbO7
  • Formula Anonymous: ABCDE3F7
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -90.51073312
  • Final energy per atom: -6.4650523657142855
  • 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.