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-10596
  • 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: 14
  • Number of elements: 3
  • Element list: ['Ca', 'Mo', 'O']
  • Chemical System: Ca-Mo-O
  • Density: 5.562108552613669
  • Atomic Density: 0.07922492578775456
  • Unit Cell Volume: 176.7120620283865
  • Molar Volume: 7.601320796605674
  • Full Formula: Ca2 Mo4 O8
  • Reduced Formula: Ca(MoO2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m