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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229138

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-1229138
  • 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: 60
  • Number of elements: 5
  • Element list: ['Ba', 'Y', 'Lu', 'Cu', 'O']
  • Chemical System: Ba-Cu-Lu-O-Y
  • Density: 6.127704050134106
  • Atomic Density: 0.07214406201701438
  • Unit Cell Volume: 831.6692784203037
  • Molar Volume: 8.3473824340245
  • Full Formula: Ba8 Y3 Lu1 Cu16 O32
  • Reduced Formula: Ba8Y3Lu(CuO2)16
  • Formula Anonymous: AB3C8D16E32
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -385.23281914
  • Final energy per atom: -6.420546985666666
  • 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.