Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1182620

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-1182620
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['Ca', 'Cd', 'Br', 'O']
  • Chemical System: Br-Ca-Cd-O
  • Density: 2.784064583347928
  • Atomic Density: 0.04075152856391116
  • Unit Cell Volume: 1030.6361866679638
  • Molar Volume: 14.777705210628843
  • Full Formula: Ca4 Cd2 Br12 O24
  • Reduced Formula: Ca2Cd(BrO2)6
  • Formula Anonymous: AB2C6D12
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -172.74606884
  • Final energy per atom: -4.113001639047619
  • 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.