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-114825
  • 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: 6
  • Number of elements: 3
  • Element list: ['Cr', 'H', 'F']
  • Chemical System: Cr-F-H
  • Density: 3.9103181193758614
  • Atomic Density: 0.10952983544239081
  • Unit Cell Volume: 54.77959476307082
  • Molar Volume: 5.498173840649522
  • Full Formula: Cr1 H1 F4
  • Reduced Formula: CrHF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1