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-9876
  • 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: 18
  • Number of elements: 4
  • Element list: ['Ca', 'Al', 'Bi', 'O']
  • Chemical System: Al-Bi-Ca-O
  • Density: 5.027769338262487
  • Atomic Density: 0.06879352064623936
  • Unit Cell Volume: 261.65254853814463
  • Molar Volume: 8.753935986163551
  • Full Formula: Ca4 Al2 Bi2 O10
  • Reduced Formula: Ca2AlBiO5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m