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-114492
  • 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: 6
  • Number of elements: 3
  • Element list: ['B', 'H', 'C']
  • Chemical System: B-C-H
  • Density: 2.0950517790837453
  • Atomic Density: 0.15883618112767292
  • Unit Cell Volume: 37.77476867929219
  • Molar Volume: 3.7914162360522803
  • Full Formula: B2 H2 C2
  • Reduced Formula: BHC
  • Formula Anonymous: ABC
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm