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-1735572
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Cl', 'Mo', 'O', 'S']
  • Chemical System: Cl-Mo-O-S
  • Density: 2.38316964790414
  • Atomic Density: 0.03659531699234078
  • Unit Cell Volume: 546.5180149740444
  • Molar Volume: 16.456042070247413
  • Full Formula: Mo2 S2 Cl14 O2
  • Reduced Formula: MoSCl7O
  • Formula Anonymous: ABCD7
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1