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-116131
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Li', 'P', 'H']
  • Chemical System: H-Li-P
  • Density: 1.3716573353059534
  • Atomic Density: 0.07204227474313832
  • Unit Cell Volume: 55.5229552962024
  • Molar Volume: 8.359176305122958
  • Full Formula: Li2 P1 H1
  • Reduced Formula: Li2PH
  • Formula Anonymous: ABC2
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m