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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198048

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-1198048
  • 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: 46
  • Number of elements: 4
  • Element list: ['Li', 'Cu', 'Se', 'O']
  • Chemical System: Cu-Li-O-Se
  • Density: 3.9986979372455114
  • Atomic Density: 0.07440792797276524
  • Unit Cell Volume: 618.213693799361
  • Molar Volume: 8.093412790911502
  • Full Formula: Li4 Cu6 Se8 O28
  • Reduced Formula: Li2Cu3(Se2O7)2
  • Formula Anonymous: A2B3C4D14
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -259.12810823
  • Final energy per atom: -5.633219744130435
  • 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.