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-42026
  • 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: 8
  • Number of elements: 2
  • Element list: ['Pr', 'Ga']
  • Chemical System: Ga-Pr
  • Density: 6.886959721729523
  • Atomic Density: 0.04738875428228445
  • Unit Cell Volume: 168.81642324560272
  • Molar Volume: 12.707953292309448
  • Full Formula: Pr2 Ga6
  • Reduced Formula: PrGa3
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm