Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-775015

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-775015
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'Ni', 'O']
  • Chemical System: Cr-Li-Ni-O
  • Density: 4.114009829186728
  • Atomic Density: 0.09727763015627126
  • Unit Cell Volume: 143.91797967847032
  • Molar Volume: 6.1906737965611995
  • Full Formula: Li2 Cr3 Ni1 O8
  • Reduced Formula: Li2Cr3NiO8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -106.06173811
  • Final energy per atom: -7.575838436428571
  • 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.