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-117226
  • 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: 16
  • Number of elements: 5
  • Element list: ['Ca', 'Ti', 'Si', 'Sn', 'O']
  • Chemical System: Ca-O-Si-Sn-Ti
  • Density: 3.9900283077860275
  • Atomic Density: 0.08305419203081733
  • Unit Cell Volume: 192.64530313007182
  • Molar Volume: 7.250857076263507
  • Full Formula: Ca2 Ti1 Si2 Sn1 O10
  • Reduced Formula: Ca2TiSi2SnO10
  • Formula Anonymous: ABC2D2E10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1