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-117382
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['K', 'Ti', 'O']
  • Chemical System: K-O-Ti
  • Density: 3.547725000997848
  • Atomic Density: 0.07746712585567521
  • Unit Cell Volume: 361.44364065042606
  • Molar Volume: 7.7738017171561555
  • Full Formula: K3 Ti8 O17
  • Reduced Formula: K3Ti8O17
  • Formula Anonymous: A3B8C17
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m