Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1232997

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-1232997
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 5
  • Element list: ['Li', 'Cu', 'P', 'Ru', 'O']
  • Chemical System: Cu-Li-O-P-Ru
  • Density: 3.7956782503087183
  • Atomic Density: 0.08104227735542661
  • Unit Cell Volume: 271.4632500209087
  • Molar Volume: 7.430863194513568
  • Full Formula: Li1 Cu1 P4 Ru2 O14
  • Reduced Formula: LiCuP4(RuO7)2
  • Formula Anonymous: ABC2D4E14
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -162.07723895
  • Final energy per atom: -7.367147225
  • 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.