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-92266
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ca', 'Bi', 'P']
  • Chemical System: Bi-Ca-P
  • Density: 3.0927471425221653
  • Atomic Density: 0.025854484681526884
  • Unit Cell Volume: 193.39004670135688
  • Molar Volume: 23.292441656370894
  • Full Formula: Ca3 Bi1 P1
  • Reduced Formula: Ca3BiP
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m