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-105281
  • 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: 72
  • Number of elements: 5
  • Element list: ['C', 'H', 'In', 'P', 'Si']
  • Chemical System: C-H-In-P-Si
  • Density: 1.4064279537008717
  • Atomic Density: 0.09462216855381766
  • Unit Cell Volume: 760.9210515932004
  • Molar Volume: 6.364407888807605
  • Full Formula: In2 Si4 P2 H48 C16
  • Reduced Formula: InSi2P(H3C)8
  • Formula Anonymous: ABC2D8E24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1