Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1236009

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1236009
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 4
  • Element list: ['Li', 'Co', 'O', 'F']
  • Chemical System: Co-F-Li-O
  • Density: 4.278623857747544
  • Atomic Density: 0.08404183628232609
  • Unit Cell Volume: 226.07787788182443
  • Molar Volume: 7.1656463332970395
  • Full Formula: Li1 Co6 O2 F10
  • Reduced Formula: LiCo6(OF5)2
  • Formula Anonymous: AB2C6D10
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -107.07217351
  • Final energy per atom: -5.635377553157895
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.