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-88859
  • 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: 36
  • Number of elements: 3
  • Element list: ['Si', 'P', 'O']
  • Chemical System: O-P-Si
  • Density: 2.7421537181416236
  • Atomic Density: 0.08185703721307262
  • Unit Cell Volume: 439.79114350660586
  • Molar Volume: 7.35690047555039
  • Full Formula: Si5 P6 O25
  • Reduced Formula: Si5P6O25
  • Formula Anonymous: A5B6C25
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3