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-104011
  • 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: 42
  • Number of elements: 4
  • Element list: ['Sn', 'H', 'C', 'F']
  • Chemical System: C-F-H-Sn
  • Density: 2.2276258669314903
  • Atomic Density: 0.11695975035143108
  • Unit Cell Volume: 359.09789370960385
  • Molar Volume: 5.1489001489017925
  • Full Formula: Sn2 H24 C12 F4
  • Reduced Formula: SnH12(C3F)2
  • Formula Anonymous: AB2C6D12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1