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-106780
  • 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: 10
  • Number of elements: 4
  • Element list: ['Mg', 'Fe', 'C', 'O']
  • Chemical System: C-Fe-Mg-O
  • Density: 3.4914356618494935
  • Atomic Density: 0.10504145530603583
  • Unit Cell Volume: 95.20050889303879
  • Molar Volume: 5.7331086497751125
  • Full Formula: Mg1 Fe1 C2 O6
  • Reduced Formula: MgFe(CO3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3