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-50460
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Ta', 'As', 'O']
  • Chemical System: As-O-Ta
  • Density: 6.665392789497237
  • Atomic Density: 0.0752936506243398
  • Unit Cell Volume: 159.37598855275613
  • Molar Volume: 7.998205306907051
  • Full Formula: Ta2 As2 O8
  • Reduced Formula: TaAsO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2