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  1. Third-Parties
  2. MatprojStructure
  3. mp-756323

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-756323
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Li', 'Cu', 'As', 'O']
  • Chemical System: As-Cu-Li-O
  • Density: 3.6739085746107287
  • Atomic Density: 0.08181217814077603
  • Unit Cell Volume: 195.56990613877124
  • Molar Volume: 7.3609343949229284
  • Full Formula: Li4 Cu2 As2 O8
  • Reduced Formula: Li2CuAsO4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -93.30818818
  • Final energy per atom: -5.83176176125
  • 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.