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-104022
  • 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: 60
  • Number of elements: 2
  • Element list: ['H', 'C']
  • Chemical System: C-H
  • Density: 1.2934602059924143
  • Atomic Density: 0.1132825816609345
  • Unit Cell Volume: 529.6489462041542
  • Molar Volume: 5.31603417904514
  • Full Formula: H28 C32
  • Reduced Formula: H7C8
  • Formula Anonymous: A7B8
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2