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-3315
  • 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: 8
  • Number of elements: 3
  • Element list: ['Be', 'C', 'N']
  • Chemical System: Be-C-N
  • Density: 3.2851165514231555
  • Atomic Density: 0.16137793067192782
  • Unit Cell Volume: 49.573073385502425
  • Molar Volume: 3.731700322916317
  • Full Formula: Be2 C2 N4
  • Reduced Formula: BeCN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m