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-2487
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Na', 'Mg', 'As']
  • Chemical System: As-Mg-Na
  • Density: 2.946745831422328
  • Atomic Density: 0.04355975789031645
  • Unit Cell Volume: 137.7418124110793
  • Molar Volume: 13.825009714617243
  • Full Formula: Na2 Mg2 As2
  • Reduced Formula: NaMgAs
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm