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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105220

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-1105220
  • 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: 20
  • Number of elements: 4
  • Element list: ['Ca', 'Cu', 'Ir', 'O']
  • Chemical System: Ca-Cu-Ir-O
  • Density: 9.271850029857895
  • Atomic Density: 0.09371848462425637
  • Unit Cell Volume: 213.40507243779706
  • Molar Volume: 6.425776925592051
  • Full Formula: Ca1 Cu3 Ir4 O12
  • Reduced Formula: CaCu3(IrO3)4
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 204
  • Spacegroup Symbol: Im-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -135.22268332
  • Final energy per atom: -6.761134166
  • 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.