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-107759
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ga', 'Cu', 'Te']
  • Chemical System: Cu-Ga-Te
  • Density: 5.701643529229386
  • Atomic Density: 0.03535530496202103
  • Unit Cell Volume: 113.13719410133315
  • Molar Volume: 17.03320270174175
  • Full Formula: Ga1 Cu1 Te2
  • Reduced Formula: GaCuTe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m