Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-757965

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-757965
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'C', 'O']
  • Chemical System: C-Cr-Li-O
  • Density: 2.822251799316096
  • Atomic Density: 0.09301035799003318
  • Unit Cell Volume: 311.7932306325236
  • Molar Volume: 6.47469904442828
  • Full Formula: Li2 Cr3 C6 O18
  • Reduced Formula: Li2Cr3(CO3)6
  • Formula Anonymous: A2B3C6D18
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -234.38899075000003
  • Final energy per atom: -8.082378991379311
  • 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.