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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227579

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-1227579
  • 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: 32
  • Number of elements: 3
  • Element list: ['Ca', 'Cd', 'Ga']
  • Chemical System: Ca-Cd-Ga
  • Density: 3.031060216396136
  • Atomic Density: 0.0330697549118163
  • Unit Cell Volume: 967.6515621398191
  • Molar Volume: 18.210418480749617
  • Full Formula: Ca20 Cd3 Ga9
  • Reduced Formula: Ca20(CdGa3)3
  • Formula Anonymous: A3B9C20
  • Spacegroup Number: 89
  • Spacegroup Symbol: P422
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -81.71113996
  • Final energy per atom: -2.55347312375
  • 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.