Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1179787

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-1179787
  • 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: 46
  • Number of elements: 5
  • Element list: ['Rb', 'Cd', 'C', 'Br', 'O']
  • Chemical System: Br-C-Cd-O-Rb
  • Density: 3.63122202606228
  • Atomic Density: 0.07185364885364934
  • Unit Cell Volume: 640.190174526728
  • Molar Volume: 8.381120313410701
  • Full Formula: Rb1 Cd6 C12 Br1 O26
  • Reduced Formula: RbCd6C12BrO26
  • Formula Anonymous: ABC6D12E26
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -313.26587515
  • Final energy per atom: -6.810127720652174
  • 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.