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-32974
  • 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: 22
  • Number of elements: 4
  • Element list: ['Tl', 'Pt', 'C', 'N']
  • Chemical System: C-N-Pt-Tl
  • Density: 5.497478347111061
  • Atomic Density: 0.051442588143515995
  • Unit Cell Volume: 427.66121989476454
  • Molar Volume: 11.706527562725386
  • Full Formula: Tl4 Pt2 C8 N8
  • Reduced Formula: Tl2Pt(CN)4
  • Formula Anonymous: AB2C4D4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m