Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1198304

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-1198304
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['Mg', 'Cd', 'Cl', 'O']
  • Chemical System: Cd-Cl-Mg-O
  • Density: 2.209242410940414
  • Atomic Density: 0.049385900580645375
  • Unit Cell Volume: 850.4451575488744
  • Molar Volume: 12.194048684332614
  • Full Formula: Mg4 Cd2 Cl12 O24
  • Reduced Formula: Mg2Cd(ClO2)6
  • Formula Anonymous: AB2C6D12
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -168.42528577000002
  • Final energy per atom: -4.010125851666667
  • 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.