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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1252875
  • Created at: Sept. 4, 2022, 3:42 p.m.
  • Last updated at: Sept. 4, 2022, 3:42 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['I', 'Sn', 'Tl']
  • Chemical System: I-Sn-Tl
  • Density: 6.280222665651775
  • Atomic Density: 0.024911291418481606
  • Unit Cell Volume: 1445.1278095238258
  • Molar Volume: 24.174341903174856
  • Full Formula: Tl12 Sn4 I20
  • Reduced Formula: Tl3SnI5
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222