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-121343
  • 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: 20
  • Number of elements: 4
  • Element list: ['Nd', 'Mn', 'Cu', 'O']
  • Chemical System: Cu-Mn-Nd-O
  • Density: 6.191084684849506
  • Atomic Density: 0.10103719068575245
  • Unit Cell Volume: 197.94691305505842
  • Molar Volume: 5.960320867125218
  • Full Formula: Nd1 Mn5 Cu2 O12
  • Reduced Formula: NdMn5(CuO6)2
  • Formula Anonymous: AB2C5D12
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm