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  1. Third-Parties
  2. MatprojStructure
  3. mp-1361722

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-1361722
  • 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: 33
  • Number of elements: 4
  • Element list: ['Ba', 'Cu', 'C', 'O']
  • Chemical System: Ba-C-Cu-O
  • Density: 2.4450637690217736
  • Atomic Density: 0.06307905989001848
  • Unit Cell Volume: 523.1530092163257
  • Molar Volume: 9.546972910661488
  • Full Formula: Ba2 Cu1 C12 O18
  • Reduced Formula: Ba2Cu(C2O3)6
  • Formula Anonymous: AB2C12D18
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -118.54811975
  • Final energy per atom: -3.5923672651515153
  • 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.