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-115814
  • 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', 'Y', 'O']
  • Chemical System: Ca-O-Y
  • Density: 2.402162263752505
  • Atomic Density: 0.029933442557696192
  • Unit Cell Volume: 100.22235144579685
  • Molar Volume: 20.118436923492602
  • Full Formula: Ca1 Y1 O1
  • Reduced Formula: CaYO
  • Formula Anonymous: ABC
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm