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-105942
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Mn', 'Co', 'C']
  • Chemical System: C-Co-Mn
  • Density: 7.68618191303613
  • Atomic Density: 0.09494889545143868
  • Unit Cell Volume: 52.65990695549728
  • Molar Volume: 6.342507441890153
  • Full Formula: Mn1 Co3 C1
  • Reduced Formula: MnCo3C
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m