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-12962
  • 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: 13
  • Number of elements: 2
  • Element list: ['Ca', 'P']
  • Chemical System: Ca-P
  • Density: 2.545249347097183
  • Atomic Density: 0.044460262678998136
  • Unit Cell Volume: 292.3959332822579
  • Molar Volume: 13.544995906748662
  • Full Formula: Ca5 P8
  • Reduced Formula: Ca5P8
  • Formula Anonymous: A5B8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m