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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226244

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-1226244
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['Cr', 'Cd', 'Cu', 'O']
  • Chemical System: Cd-Cr-Cu-O
  • Density: 5.22545585731362
  • Atomic Density: 0.08888521552305938
  • Unit Cell Volume: 472.5195270421996
  • Molar Volume: 6.775188342135126
  • Full Formula: Cr12 Cd2 Cu4 O24
  • Reduced Formula: Cr6Cd(CuO6)2
  • Formula Anonymous: AB2C6D12
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -336.61578014
  • Final energy per atom: -8.014661431904763
  • 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.