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-55731
  • 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: 20
  • Number of elements: 4
  • Element list: ['Tl', 'H', 'N', 'Cl']
  • Chemical System: Cl-H-N-Tl
  • Density: 3.1648408848834446
  • Atomic Density: 0.05232660832526201
  • Unit Cell Volume: 382.21472096337817
  • Molar Volume: 11.508754250927932
  • Full Formula: Tl2 H8 N2 Cl8
  • Reduced Formula: TlH4NCl4
  • Formula Anonymous: ABC4D4
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m