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  1. Third-Parties
  2. MatprojStructure
  3. mp-1190573

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-1190573
  • 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: 24
  • Number of elements: 3
  • Element list: ['Ca', 'Cd', 'Cu']
  • Chemical System: Ca-Cd-Cu
  • Density: 7.816912656350503
  • Atomic Density: 0.06750539308582724
  • Unit Cell Volume: 355.5271498009957
  • Molar Volume: 8.920977250430008
  • Full Formula: Ca2 Cd4 Cu18
  • Reduced Formula: CaCd2Cu9
  • Formula Anonymous: AB2C9
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -83.12697514
  • Final energy per atom: -3.4636239641666666
  • 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.