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-85195
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['La', 'Tl', 'Zn']
  • Chemical System: La-Tl-Zn
  • Density: 8.608115351793986
  • Atomic Density: 0.038052041985500565
  • Unit Cell Volume: 157.67879164766646
  • Molar Volume: 15.826064636149331
  • Full Formula: La2 Tl2 Zn2
  • Reduced Formula: LaTlZn
  • Formula Anonymous: ABC
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm