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-113125
  • 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: 14
  • Number of elements: 3
  • Element list: ['Pr', 'Mg', 'Se']
  • Chemical System: Mg-Pr-Se
  • Density: 5.845168789017001
  • Atomic Density: 0.039617159580617206
  • Unit Cell Volume: 353.38222498034753
  • Molar Volume: 15.200839292240293
  • Full Formula: Pr4 Mg2 Se8
  • Reduced Formula: Pr2MgSe4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m