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-70416
  • 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: 4
  • Number of elements: 3
  • Element list: ['Be', 'Te', 'Cl']
  • Chemical System: Be-Cl-Te
  • Density: 3.5735921567930546
  • Atomic Density: 0.04753918329510662
  • Unit Cell Volume: 84.14111734249617
  • Molar Volume: 12.667741308504727
  • Full Formula: Be2 Te1 Cl1
  • Reduced Formula: Be2TeCl
  • Formula Anonymous: ABC2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2