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-8259
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Al', 'Cu', 'O']
  • Chemical System: Al-Cu-O
  • Density: 4.98465168690132
  • Atomic Density: 0.09799778382821886
  • Unit Cell Volume: 81.63449914360581
  • Molar Volume: 6.14518055893617
  • Full Formula: Al2 Cu2 O4
  • Reduced Formula: AlCuO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm