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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-10149
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['C', 'La', 'Tl']
  • Chemical System: C-La-Tl
  • Density: 7.315185673708562
  • Atomic Density: 0.03479099153323999
  • Unit Cell Volume: 143.7153636516195
  • Molar Volume: 17.309482985692803
  • Full Formula: La3 Tl1 C1
  • Reduced Formula: La3TlC
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m