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: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-44135
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'Fe', 'Cu', 'O']
  • Chemical System: Cu-Fe-Li-Mn-O
  • Density: 4.703518006251741
  • Atomic Density: 0.10562133307722243
  • Unit Cell Volume: 265.09796065088943
  • Molar Volume: 5.701632979387848
  • Full Formula: Li4 Mn3 Fe2 Cu3 O16
  • Reduced Formula: Li4Mn3Fe2Cu3O16
  • Formula Anonymous: A2B3C3D4E16
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m