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  1. Third-Parties
  2. MatprojStructure
  3. mp-754778

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-754778
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'Cu', 'O']
  • Chemical System: Cr-Cu-Li-O
  • Density: 4.4119198103374515
  • Atomic Density: 0.1098912981485175
  • Unit Cell Volume: 72.79921281108211
  • Molar Volume: 5.480088834569147
  • Full Formula: Li2 Cr1 Cu1 O4
  • Reduced Formula: Li2CrCuO4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -52.56526796
  • Final energy per atom: -6.570658495
  • 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.