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-42538
  • 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: 18
  • Number of elements: 4
  • Element list: ['Ta', 'Cr', 'N', 'O']
  • Chemical System: Cr-N-O-Ta
  • Density: 8.2151506338198
  • Atomic Density: 0.08766667333872048
  • Unit Cell Volume: 205.3231782898027
  • Molar Volume: 6.8693615608431555
  • Full Formula: Ta4 Cr2 N2 O10
  • Reduced Formula: Ta2CrNO5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2