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-70854
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ca', 'Be', 'P']
  • Chemical System: Be-Ca-P
  • Density: 1.9117142691658568
  • Atomic Density: 0.034486462105060345
  • Unit Cell Volume: 173.98131422473733
  • Molar Volume: 17.462332731185974
  • Full Formula: Ca4 Be1 P1
  • Reduced Formula: Ca4BeP
  • Formula Anonymous: ABC4
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m