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-117204
  • 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: 4
  • Element list: ['Lu', 'Ti', 'Fe', 'C']
  • Chemical System: C-Fe-Lu-Ti
  • Density: 8.379521078253427
  • Atomic Density: 0.08319916926849034
  • Unit Cell Volume: 168.27091091283478
  • Molar Volume: 7.238222223789364
  • Full Formula: Lu1 Ti1 Fe11 C1
  • Reduced Formula: LuTiFe11C
  • Formula Anonymous: ABCD11
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2