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-101917
  • 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: 25
  • Number of elements: 4
  • Element list: ['Zn', 'H', 'C', 'O']
  • Chemical System: C-H-O-Zn
  • Density: 1.9402633478783067
  • Atomic Density: 0.12294986036753638
  • Unit Cell Volume: 203.3349198223326
  • Molar Volume: 4.898046034373605
  • Full Formula: Zn1 H12 C8 O4
  • Reduced Formula: ZnH12(C2O)4
  • Formula Anonymous: AB4C8D12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1