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-120096
  • 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: 3
  • Number of elements: 3
  • Element list: ['Tl', 'Mo', 'Cl']
  • Chemical System: Cl-Mo-Tl
  • Density: 8.673508829301806
  • Atomic Density: 0.04666775862788016
  • Unit Cell Volume: 64.28421008862735
  • Molar Volume: 12.9042853933042
  • Full Formula: Tl1 Mo1 Cl1
  • Reduced Formula: TlMoCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2