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  1. Third-Parties
  2. MatprojStructure
  3. mp-1042499

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-1042499
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Ca', 'Cu', 'Bi', 'O']
  • Chemical System: Bi-Ca-Cu-O
  • Density: 5.2135299510436885
  • Atomic Density: 0.06397656499953593
  • Unit Cell Volume: 1000.3663060132136
  • Molar Volume: 9.41304172870751
  • Full Formula: Ca8 Cu8 Bi8 O40
  • Reduced Formula: CaCuBiO5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -372.2476447
  • Final energy per atom: -5.8163694484375
  • 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.