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  1. Third-Parties
  2. MatprojStructure
  3. mp-615789

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-615789
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['Ba', 'Cu', 'O']
  • Chemical System: Ba-Cu-O
  • Density: 5.174634804182153
  • Atomic Density: 0.06107130862042386
  • Unit Cell Volume: 720.4692513381846
  • Molar Volume: 9.860834647296285
  • Full Formula: Ba8 Cu12 O24
  • Reduced Formula: Ba2(CuO2)3
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -261.95162758000004
  • Final energy per atom: -5.953446081363637
  • 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.