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-35409
  • 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: ['In', 'P', 'Pt']
  • Chemical System: In-P-Pt
  • Density: 16.377367480946628
  • Atomic Density: 0.06157513766593305
  • Unit Cell Volume: 113.68224685062796
  • Molar Volume: 9.780149892107834
  • Full Formula: In1 P1 Pt5
  • Reduced Formula: InPPt5
  • Formula Anonymous: ABC5
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm