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-92906
  • 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: 8
  • Number of elements: 3
  • Element list: ['Ba', 'Mg', 'C']
  • Chemical System: Ba-C-Mg
  • Density: 2.3283579073983125
  • Atomic Density: 0.03800334267701319
  • Unit Cell Volume: 210.50779843213377
  • Molar Volume: 15.84634491545021
  • Full Formula: Ba1 Mg6 C1
  • Reduced Formula: BaMg6C
  • Formula Anonymous: ABC6
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2