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-87093
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['Ca', 'Pt', 'O']
  • Chemical System: Ca-O-Pt
  • Density: 7.520179380749791
  • Atomic Density: 0.07420420338998872
  • Unit Cell Volume: 175.19223178877087
  • Molar Volume: 8.115632922234806
  • Full Formula: Ca2 Pt3 O8
  • Reduced Formula: Ca2Pt3O8
  • Formula Anonymous: A2B3C8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m