Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-759711

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-759711
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['Li', 'Cu', 'C', 'O']
  • Chemical System: C-Cu-Li-O
  • Density: 3.49018535577379
  • Atomic Density: 0.09663930053690858
  • Unit Cell Volume: 558.7788787789939
  • Molar Volume: 6.23156492911496
  • Full Formula: Li9 Cu9 C9 O27
  • Reduced Formula: LiCuCO3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -358.37846731
  • Final energy per atom: -6.6366382835185185
  • 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.