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-60661
  • 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: 36
  • Number of elements: 2
  • Element list: ['Mo', 'Br']
  • Chemical System: Br-Mo
  • Density: 4.9349159754875265
  • Atomic Density: 0.03486098658065216
  • Unit Cell Volume: 1032.6730116117824
  • Molar Volume: 17.274728430497966
  • Full Formula: Mo12 Br24
  • Reduced Formula: MoBr2
  • Formula Anonymous: AB2
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm