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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229059

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-1229059
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 65
  • Number of elements: 5
  • Element list: ['Ba', 'Gd', 'Y', 'Cu', 'O']
  • Chemical System: Ba-Cu-Gd-O-Y
  • Density: 6.449315079454334
  • Atomic Density: 0.072801743003834
  • Unit Cell Volume: 892.8357662614873
  • Molar Volume: 8.271973323060207
  • Full Formula: Ba10 Gd2 Y3 Cu15 O35
  • Reduced Formula: Ba10Gd2Y3(Cu3O7)5
  • Formula Anonymous: A2B3C10D15E35
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -442.84060583
  • Final energy per atom: -6.812932397384616
  • 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.