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-54929
  • 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: 16
  • Number of elements: 4
  • Element list: ['Ca', 'Zn', 'Cu', 'P']
  • Chemical System: Ca-Cu-P-Zn
  • Density: 4.004362631801912
  • Atomic Density: 0.052503268086490924
  • Unit Cell Volume: 304.74293473774816
  • Molar Volume: 11.470030303788832
  • Full Formula: Ca4 Zn4 Cu2 P6
  • Reduced Formula: Ca2Zn2CuP3
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm