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-112194
  • 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: 70
  • Number of elements: 2
  • Element list: ['H', 'C']
  • Chemical System: C-H
  • Density: 1.3584635530489
  • Atomic Density: 0.10750713620824724
  • Unit Cell Volume: 651.1195672109259
  • Molar Volume: 5.601619550477823
  • Full Formula: H28 C42
  • Reduced Formula: H2C3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1