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  1. Third-Parties
  2. MatprojStructure
  3. mp-556137

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-556137
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 4
  • Element list: ['Li', 'Ca', 'Si', 'O']
  • Chemical System: Ca-Li-O-Si
  • Density: 2.8089713827740375
  • Atomic Density: 0.07867468113357882
  • Unit Cell Volume: 584.6861955741302
  • Molar Volume: 7.654483848209351
  • Full Formula: Li4 Ca8 Si8 O26
  • Reduced Formula: Li2Ca4Si4O13
  • Formula Anonymous: A2B4C4D13
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -347.7076318
  • Final energy per atom: -7.558861560869565
  • 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.