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-113977
  • 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: ['B', 'C', 'N']
  • Chemical System: B-C-N
  • Density: 3.1868664188677185
  • Atomic Density: 0.15101186514334214
  • Unit Cell Volume: 26.487984875911277
  • Molar Volume: 3.987859334287221
  • Full Formula: B1 C1 N2
  • Reduced Formula: BCN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m