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  1. Third-Parties
  2. MatprojStructure
  3. mp-757466

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-757466
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 4
  • Element list: ['Li', 'Si', 'Bi', 'O']
  • Chemical System: Bi-Li-O-Si
  • Density: 4.026696447505228
  • Atomic Density: 0.07921229443049511
  • Unit Cell Volume: 984.6956278793458
  • Molar Volume: 7.602532919033334
  • Full Formula: Li18 Si12 Bi6 O42
  • Reduced Formula: Li3Si2BiO7
  • Formula Anonymous: AB2C3D7
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -536.77412535
  • Final energy per atom: -6.88171955576923
  • 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.