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-98366
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Bi', 'P', 'H', 'O']
  • Chemical System: Bi-H-O-P
  • Density: 3.8767651165004127
  • Atomic Density: 0.07991151981873792
  • Unit Cell Volume: 450.4982520875369
  • Molar Volume: 7.536010795014199
  • Full Formula: Bi2 P8 H2 O24
  • Reduced Formula: BiP4HO12
  • Formula Anonymous: ABC4D12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1