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-72659
  • 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: ['Be', 'Nb', 'Cu']
  • Chemical System: Be-Cu-Nb
  • Density: 6.692881941201506
  • Atomic Density: 0.07307693562910388
  • Unit Cell Volume: 41.05262452747416
  • Molar Volume: 8.240822782395929
  • Full Formula: Be1 Nb1 Cu1
  • Reduced Formula: BeNbCu
  • Formula Anonymous: ABC
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1