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-12150
  • 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: 8
  • Number of elements: 3
  • Element list: ['Sc', 'H', 'O']
  • Chemical System: H-O-Sc
  • Density: 3.3844402265054816
  • Atomic Density: 0.10457097044295378
  • Unit Cell Volume: 76.50306740114084
  • Molar Volume: 5.758903005767969
  • Full Formula: Sc2 H2 O4
  • Reduced Formula: ScHO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m