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-88071
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 30
  • Number of elements: 5
  • Element list: ['Pr', 'P', 'H', 'C', 'O']
  • Chemical System: C-H-O-P-Pr
  • Density: 2.9708861524807766
  • Atomic Density: 0.08917972571269155
  • Unit Cell Volume: 336.39933023174314
  • Molar Volume: 6.752813727417601
  • Full Formula: Pr2 P2 H10 C2 O14
  • Reduced Formula: PrPH5CO7
  • Formula Anonymous: ABCD5E7
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1