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-56457
  • 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: 18
  • Number of elements: 3
  • Element list: ['P', 'Au', 'I']
  • Chemical System: Au-I-P
  • Density: 7.865020585224113
  • Atomic Density: 0.04696226219194161
  • Unit Cell Volume: 383.286476414432
  • Molar Volume: 12.82336173540072
  • Full Formula: P10 Au7 I1
  • Reduced Formula: P10Au7I
  • Formula Anonymous: AB7C10
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m