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-56727
  • 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: 76
  • Number of elements: 4
  • Element list: ['Cl', 'Ga', 'N', 'S']
  • Chemical System: Cl-Ga-N-S
  • Density: 2.2352206540111075
  • Atomic Density: 0.041386018514091974
  • Unit Cell Volume: 1836.3689653819185
  • Molar Volume: 14.551147890559843
  • Full Formula: Ga8 S20 N20 Cl28
  • Reduced Formula: Ga2S5N5Cl7
  • Formula Anonymous: A2B5C5D7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m