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-90133
  • 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: 9
  • Number of elements: 3
  • Element list: ['Ti', 'P', 'Os']
  • Chemical System: Os-P-Ti
  • Density: 10.500409132102387
  • Atomic Density: 0.07050369358187196
  • Unit Cell Volume: 127.65288657606014
  • Molar Volume: 8.541596126459428
  • Full Formula: Ti3 P3 Os3
  • Reduced Formula: TiPOs
  • Formula Anonymous: ABC
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m