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  1. Third-Parties
  2. MatprojStructure
  3. mp-560072

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-560072
  • 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: 5
  • Element list: ['Li', 'Be', 'As', 'Cl', 'O']
  • Chemical System: As-Be-Cl-Li-O
  • Density: 2.8863387758285057
  • Atomic Density: 0.07885124148476216
  • Unit Cell Volume: 583.3769910761571
  • Molar Volume: 7.637344253056265
  • Full Formula: Li8 Be6 As6 Cl2 O24
  • Reduced Formula: Li4Be3As3ClO12
  • Formula Anonymous: AB3C3D4E12
  • Spacegroup Number: 218
  • Spacegroup Symbol: P-43n
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -296.57030525
  • Final energy per atom: -6.447180548913043
  • 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.