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-13009
  • 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: 18
  • Number of elements: 3
  • Element list: ['Ti', 'Se', 'O']
  • Chemical System: O-Se-Ti
  • Density: 3.9402267652377434
  • Atomic Density: 0.07076512556125732
  • Unit Cell Volume: 254.36258124658355
  • Molar Volume: 8.510040379688125
  • Full Formula: Ti2 Se4 O12
  • Reduced Formula: Ti(SeO3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m