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-1361343
  • Created at: Sept. 4, 2022, 3:46 p.m.
  • Last updated at: Sept. 4, 2022, 3:46 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 96
  • Number of elements: 4
  • Element list: ['As', 'C', 'Nd', 'Sn']
  • Chemical System: As-C-Nd-Sn
  • Density: 6.410235947881646
  • Atomic Density: 0.06920613430497621
  • Unit Cell Volume: 1387.1602707492534
  • Molar Volume: 8.701744174095538
  • Full Formula: Nd12 Sn8 As28 C48
  • Reduced Formula: Nd3Sn2As7C12
  • Formula Anonymous: A2B3C7D12
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm