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-22735
  • 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: 3
  • Number of elements: 3
  • Element list: ['Li', 'Ca', 'As']
  • Chemical System: As-Ca-Li
  • Density: 2.7762549708976296
  • Atomic Density: 0.04113231743858803
  • Unit Cell Volume: 72.93535076109202
  • Molar Volume: 14.640898288775643
  • Full Formula: Li1 Ca1 As1
  • Reduced Formula: LiCaAs
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m