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-41112
  • 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: 16
  • Number of elements: 3
  • Element list: ['Nd', 'Ag', 'As']
  • Chemical System: Ag-As-Nd
  • Density: 7.56497709535323
  • Atomic Density: 0.0453359587754568
  • Unit Cell Volume: 352.9207373609534
  • Molar Volume: 13.283364734441578
  • Full Formula: Nd4 Ag4 As8
  • Reduced Formula: NdAgAs2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm