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-18644
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['Ca', 'Pt']
  • Chemical System: Ca-Pt
  • Density: 15.148267794030176
  • Atomic Density: 0.053899663588121184
  • Unit Cell Volume: 111.3179489551086
  • Molar Volume: 11.172872628702649
  • Full Formula: Ca1 Pt5
  • Reduced Formula: CaPt5
  • Formula Anonymous: AB5
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm