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  1. Third-Parties
  2. MatprojStructure
  3. mp-777277

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-777277
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'Cu', 'O']
  • Chemical System: Cr-Cu-Li-O
  • Density: 4.138199645244932
  • Atomic Density: 0.09653580218494101
  • Unit Cell Volume: 580.0956612212796
  • Molar Volume: 6.238245939535391
  • Full Formula: Li8 Cr12 Cu4 O32
  • Reduced Formula: Li2Cr3CuO8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -415.74957905
  • Final energy per atom: -7.4240996258928575
  • 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.