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-105979
  • 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: 8
  • Number of elements: 3
  • Element list: ['Ti', 'Nb', 'Al']
  • Chemical System: Al-Nb-Ti
  • Density: 5.3164235638374775
  • Atomic Density: 0.05939331448333429
  • Unit Cell Volume: 134.69529474137687
  • Molar Volume: 10.13942530802824
  • Full Formula: Ti4 Nb2 Al2
  • Reduced Formula: Ti2NbAl
  • Formula Anonymous: ABC2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm