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-63095
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['In', 'K', 'Sb']
  • Chemical System: In-K-Sb
  • Density: 4.357725653529497
  • Atomic Density: 0.027291104195138534
  • Unit Cell Volume: 2051.950686919274
  • Molar Volume: 22.06631405215457
  • Full Formula: K16 In16 Sb24
  • Reduced Formula: K2In2Sb3
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m