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-103050
  • 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: 10
  • Number of elements: 3
  • Element list: ['Ta', 'Mo', 'N']
  • Chemical System: Mo-N-Ta
  • Density: 12.500809640310832
  • Atomic Density: 0.08490182356531614
  • Unit Cell Volume: 117.78310029238492
  • Molar Volume: 7.093064091099391
  • Full Formula: Ta3 Mo3 N4
  • Reduced Formula: Ta3Mo3N4
  • Formula Anonymous: A3B3C4
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm