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  1. Third-Parties
  2. MatprojStructure
  3. mp-769204

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-769204
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 5
  • Element list: ['Li', 'Cu', 'As', 'Cl', 'O']
  • Chemical System: As-Cl-Cu-Li-O
  • Density: 3.393725422662797
  • Atomic Density: 0.08220495803208169
  • Unit Cell Volume: 656.8946848549659
  • Molar Volume: 7.325763438319344
  • Full Formula: Li14 Cu2 As8 Cl2 O28
  • Reduced Formula: Li7CuAs4ClO14
  • Formula Anonymous: ABC4D7E14
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -319.224793
  • Final energy per atom: -5.9115702407407404
  • 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.