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  1. Third-Parties
  2. MatprojStructure
  3. mp-774516

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-774516
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 5
  • Element list: ['Li', 'Mg', 'Cu', 'Si', 'O']
  • Chemical System: Cu-Li-Mg-O-Si
  • Density: 3.5461579908396392
  • Atomic Density: 0.0935423899351142
  • Unit Cell Volume: 897.9886023680463
  • Molar Volume: 6.4378735289714815
  • Full Formula: Li8 Mg3 Cu9 Si16 O48
  • Reduced Formula: Li8Mg3Cu9(SiO3)16
  • Formula Anonymous: A3B8C9D16E48
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -599.49797192
  • Final energy per atom: -7.136880618095239
  • 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.