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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-92583
  • 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: 5
  • Number of elements: 3
  • Element list: ['Fe', 'N', 'Cl']
  • Chemical System: Cl-Fe-N
  • Density: 3.2375151010778325
  • Atomic Density: 0.06298855440286655
  • Unit Cell Volume: 79.37950072676148
  • Molar Volume: 9.560690536701598
  • Full Formula: Fe1 N2 Cl2
  • Reduced Formula: Fe(NCl)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm