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-9427
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Mg', 'Si', 'N']
  • Chemical System: Mg-N-Si
  • Density: 3.0845138644612518
  • Atomic Density: 0.09241032673478014
  • Unit Cell Volume: 173.1408227342425
  • Molar Volume: 6.516740036298853
  • Full Formula: Mg4 Si4 N8
  • Reduced Formula: MgSiN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2