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-75690
  • 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: 4
  • Number of elements: 3
  • Element list: ['As', 'P', 'Pt']
  • Chemical System: As-P-Pt
  • Density: 8.485909197457365
  • Atomic Density: 0.06157898327997312
  • Unit Cell Volume: 64.95722707557094
  • Molar Volume: 9.779539120709284
  • Full Formula: As1 P2 Pt1
  • Reduced Formula: AsP2Pt
  • Formula Anonymous: ABC2
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m