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-94853
  • 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: 7
  • Number of elements: 3
  • Element list: ['Ta', 'Mn', 'B']
  • Chemical System: B-Mn-Ta
  • Density: 8.935268040077204
  • Atomic Density: 0.11275133416408864
  • Unit Cell Volume: 62.08352257555374
  • Molar Volume: 5.341081597523177
  • Full Formula: Ta1 Mn2 B4
  • Reduced Formula: Ta(MnB2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm