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-115619
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Be', 'C', 'N']
  • Chemical System: Be-C-N
  • Density: 3.5394411976221463
  • Atomic Density: 0.1738713641559493
  • Unit Cell Volume: 23.005513411698466
  • Molar Volume: 3.4635610005329003
  • Full Formula: Be1 C1 N2
  • Reduced Formula: BeCN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m