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-74413
  • 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: 3
  • Number of elements: 3
  • Element list: ['Be', 'Tc', 'Ni']
  • Chemical System: Be-Ni-Tc
  • Density: 7.909794847648698
  • Atomic Density: 0.08623831025509655
  • Unit Cell Volume: 34.78732353551309
  • Molar Volume: 6.983138633150689
  • Full Formula: Be1 Tc1 Ni1
  • Reduced Formula: BeTcNi
  • Formula Anonymous: ABC
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1