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  1. Third-Parties
  2. MatprojStructure
  3. mp-20897

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-20897
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 4
  • Element list: ['Ba', 'Y', 'Cu', 'O']
  • Chemical System: Ba-Cu-O-Y
  • Density: 6.049593917158658
  • Atomic Density: 0.06918839447430193
  • Unit Cell Volume: 361.3322753035632
  • Molar Volume: 8.703975292036517
  • Full Formula: Ba4 Y2 Cu6 O13
  • Reduced Formula: Ba4Y2Cu6O13
  • Formula Anonymous: A2B4C6D13
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -164.68576866
  • Final energy per atom: -6.5874307464
  • 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.