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-67501
  • 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: ['Ti', 'Be', 'V']
  • Chemical System: Be-Ti-V
  • Density: 4.625231242598106
  • Atomic Density: 0.07750032670012562
  • Unit Cell Volume: 38.70951423995916
  • Molar Volume: 7.770471450141949
  • Full Formula: Ti1 Be1 V1
  • Reduced Formula: TiBeV
  • Formula Anonymous: ABC
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm