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-118854
  • 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: 5
  • Number of elements: 3
  • Element list: ['Mg', 'Cu', 'As']
  • Chemical System: As-Cu-Mg
  • Density: 4.276225140106089
  • Atomic Density: 0.049145244955078
  • Unit Cell Volume: 101.73924261788359
  • Molar Volume: 12.253760797213717
  • Full Formula: Mg2 Cu1 As2
  • Reduced Formula: Mg2CuAs2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m