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-15287
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ca', 'As', 'Au']
  • Chemical System: As-Au-Ca
  • Density: 7.649947359615352
  • Atomic Density: 0.044301976688486185
  • Unit Cell Volume: 135.4341374469497
  • Molar Volume: 13.59339065691197
  • Full Formula: Ca2 As2 Au2
  • Reduced Formula: CaAsAu
  • Formula Anonymous: ABC
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm