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-95220
  • 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: 62
  • Number of elements: 4
  • Element list: ['Ca', 'B', 'H', 'O']
  • Chemical System: B-Ca-H-O
  • Density: 2.2447611439949906
  • Atomic Density: 0.12558761214504133
  • Unit Cell Volume: 493.6792645471761
  • Molar Volume: 4.795171002252214
  • Full Formula: Ca4 B6 H26 O26
  • Reduced Formula: Ca2B3(HO)13
  • Formula Anonymous: A2B3C13D13
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1