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  1. Third-Parties
  2. MatprojStructure
  3. mp-560894

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-560894
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 5
  • Element list: ['Li', 'Be', 'P', 'Cl', 'O']
  • Chemical System: Be-Cl-Li-O-P
  • Density: 2.3317392586002827
  • Atomic Density: 0.08608616502996089
  • Unit Cell Volume: 534.3483471936571
  • Molar Volume: 6.9954803514642485
  • Full Formula: Li8 Be6 P6 Cl2 O24
  • Reduced Formula: Li4Be3P3ClO12
  • Formula Anonymous: AB3C3D4E12
  • Spacegroup Number: 218
  • Spacegroup Symbol: P-43n
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -324.68263686
  • Final energy per atom: -7.058318192608696
  • 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.