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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200772

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-1200772
  • 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: 32
  • Number of elements: 5
  • Element list: ['Ba', 'Y', 'Cu', 'Pb', 'O']
  • Chemical System: Ba-Cu-O-Pb-Y
  • Density: 7.187223638241447
  • Atomic Density: 0.06315191939331996
  • Unit Cell Volume: 506.7146067358464
  • Molar Volume: 9.535958396597849
  • Full Formula: Ba4 Y2 Cu6 Pb4 O16
  • Reduced Formula: Ba2YCu3(PbO4)2
  • Formula Anonymous: AB2C2D3E8
  • Spacegroup Number: 17
  • Spacegroup Symbol: P222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -204.57410205
  • Final energy per atom: -6.3929406890625
  • 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.