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-75557
  • 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: 3
  • Number of elements: 3
  • Element list: ['Ta', 'Zn', 'As']
  • Chemical System: As-Ta-Zn
  • Density: 8.930019496618664
  • Atomic Density: 0.050216093916498616
  • Unit Cell Volume: 59.741803195376434
  • Molar Volume: 11.99245160329249
  • Full Formula: Ta1 Zn1 As1
  • Reduced Formula: TaZnAs
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m