Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
Table mix-ins: ['Structure'] Extra columns: ['mineral_name', 'aflow_id', 'pearson_symbol', 'strukturbericht_symbol', 'nsites_wyckoff']

Base Information:

  • Database Entry ID: 41
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: AFLOW Prototypes

Structure:

  • Number of sites: 13
  • Number of elements: 2
  • Element list: ['Mn', 'Th']
  • Chemical System: Mn-Th
  • Density: 8.335436528455746
  • Atomic Density: 0.0732152126963176
  • Unit Cell Volume: 177.55872750000003
  • Molar Volume: 8.225258847472947
  • Full Formula: Th1 Mn12
  • Reduced Formula: ThMn12
  • Formula Anonymous: AB12
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm