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-43423
  • 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: 22
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'Mn', 'O']
  • Chemical System: Li-Mn-O-Ti
  • Density: 3.773465285583195
  • Atomic Density: 0.09340345957146234
  • Unit Cell Volume: 235.53731415235163
  • Molar Volume: 6.447449363899098
  • Full Formula: Li4 Ti2 Mn4 O12
  • Reduced Formula: Li2TiMn2O6
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm