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-1744251
  • 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: 9
  • Number of elements: 5
  • Element list: ['As', 'Ba', 'Mn', 'O', 'Tm']
  • Chemical System: As-Ba-Mn-O-Tm
  • Density: 6.805632160957237
  • Atomic Density: 0.043430967038824896
  • Unit Cell Volume: 207.22541112092887
  • Molar Volume: 13.866006609101147
  • Full Formula: Ba2 Tm2 Mn1 As2 O2
  • Reduced Formula: Ba2Tm2Mn(AsO)2
  • Formula Anonymous: AB2C2D2E2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm