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-64979
  • 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: ['Ta', 'Mn', 'Be']
  • Chemical System: Be-Mn-Ta
  • Density: 8.995130059359536
  • Atomic Density: 0.08533713163658407
  • Unit Cell Volume: 46.872913622575965
  • Molar Volume: 7.0568820916618495
  • Full Formula: Ta1 Mn1 Be2
  • Reduced Formula: TaMnBe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2