Download Simmate

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

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-119170
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Mg', 'Cd', 'C', 'O']
  • Chemical System: C-Cd-Mg-O
  • Density: 4.5078163095018065
  • Atomic Density: 0.09025231275250419
  • Unit Cell Volume: 221.6009694382604
  • Molar Volume: 6.672561152548311
  • Full Formula: Mg1 Cd3 C4 O12
  • Reduced Formula: MgCd3(CO3)4
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3