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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1779
  • Created at: Sept. 4, 2022, 3:15 p.m.
  • Last updated at: Sept. 4, 2022, 3:15 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Ca', 'H', 'O', 'P']
  • Chemical System: Ca-H-O-P
  • Density: 2.986590740046548
  • Atomic Density: 0.09253431237892576
  • Unit Cell Volume: 302.5904583949431
  • Molar Volume: 6.508008332454539
  • Full Formula: Ca4 P4 H4 O16
  • Reduced Formula: CaPHO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1