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-113568
  • 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: 3
  • Number of elements: 3
  • Element list: ['Ca', 'V', 'S']
  • Chemical System: Ca-S-V
  • Density: 2.396295169716436
  • Atomic Density: 0.035172975036322496
  • Unit Cell Volume: 85.29275663778667
  • Molar Volume: 17.121499542705855
  • Full Formula: Ca1 V1 S1
  • Reduced Formula: CaVS
  • Formula Anonymous: ABC
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm