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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182722

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-1182722
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 33
  • Number of elements: 4
  • Element list: ['Ca', 'Cd', 'Cl', 'O']
  • Chemical System: Ca-Cd-Cl-O
  • Density: 2.443322672142102
  • Atomic Density: 0.045811806243332164
  • Unit Cell Volume: 720.3383299212984
  • Molar Volume: 13.145390356392058
  • Full Formula: Ca2 Cd3 Cl10 O18
  • Reduced Formula: Ca2Cd3(Cl5O9)2
  • Formula Anonymous: A2B3C10D18
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -133.2682441
  • Final energy per atom: -4.03843163939394
  • 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.