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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1361316
  • Created at: Sept. 4, 2022, 3:46 p.m.
  • Last updated at: Sept. 4, 2022, 3:46 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 96
  • Number of elements: 4
  • Element list: ['As', 'Be', 'Sb', 'Sc']
  • Chemical System: As-Be-Sb-Sc
  • Density: 4.471634453702211
  • Atomic Density: 0.05941330232450648
  • Unit Cell Volume: 1615.7997661140346
  • Molar Volume: 10.136014199493538
  • Full Formula: Sc8 Be48 Sb12 As28
  • Reduced Formula: Sc2Be12Sb3As7
  • Formula Anonymous: A2B3C7D12
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm