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-120020
  • 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: ['H', 'Br', 'N']
  • Chemical System: Br-H-N
  • Density: 2.549610070866028
  • Atomic Density: 0.09405998625218225
  • Unit Cell Volume: 63.78908012928608
  • Molar Volume: 6.40244699149133
  • Full Formula: H4 Br1 N1
  • Reduced Formula: H4BrN
  • Formula Anonymous: ABC4
  • Spacegroup Number: 215
  • Spacegroup Symbol: P-43m
  • Crystal System: cubic
  • Pointgroup: -43m