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-8670
  • 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: 6
  • Number of elements: 3
  • Element list: ['Sb', 'Te', 'I']
  • Chemical System: I-Sb-Te
  • Density: 5.731174605707423
  • Atomic Density: 0.02751836244939753
  • Unit Cell Volume: 218.03622984591368
  • Molar Volume: 21.884081115196754
  • Full Formula: Sb2 Te2 I2
  • Reduced Formula: SbTeI
  • Formula Anonymous: ABC
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m