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-22764
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Pr', 'Mg', 'Rh']
  • Chemical System: Mg-Pr-Rh
  • Density: 6.683256219531233
  • Atomic Density: 0.04503332919058768
  • Unit Cell Volume: 266.4693065266002
  • Molar Volume: 13.372630601023108
  • Full Formula: Pr4 Mg4 Rh4
  • Reduced Formula: PrMgRh
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm