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-93715
  • 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: ['K', 'Pt', 'N']
  • Chemical System: K-N-Pt
  • Density: 6.637338369354946
  • Atomic Density: 0.0483151782864883
  • Unit Cell Volume: 124.18457745147026
  • Molar Volume: 12.464283427231265
  • Full Formula: K2 Pt2 N2
  • Reduced Formula: KPtN
  • Formula Anonymous: ABC
  • Spacegroup Number: 131
  • Spacegroup Symbol: P4_2/mmc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm