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-114487
  • 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: 3
  • Number of elements: 3
  • Element list: ['B', 'C', 'F']
  • Chemical System: B-C-F
  • Density: 0.3615977535953852
  • Atomic Density: 0.015621142021024966
  • Unit Cell Volume: 192.04741855379137
  • Molar Volume: 38.55121957085225
  • Full Formula: B1 C1 F1
  • Reduced Formula: BCF
  • Formula Anonymous: ABC
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m