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-35508
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Tl', 'As', 'Pt']
  • Chemical System: As-Pt-Tl
  • Density: 17.22478461759781
  • Atomic Density: 0.05787009909071906
  • Unit Cell Volume: 120.9605670283469
  • Molar Volume: 10.406308015058856
  • Full Formula: Tl1 As1 Pt5
  • Reduced Formula: TlAsPt5
  • Formula Anonymous: ABC5
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm