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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194936

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-1194936
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 97
  • Number of elements: 3
  • Element list: ['Mg', 'Si', 'Bi']
  • Chemical System: Bi-Mg-Si
  • Density: 2.130893062980302
  • Atomic Density: 0.04673847892355064
  • Unit Cell Volume: 2075.377766543522
  • Molar Volume: 12.884759835360319
  • Full Formula: Mg64 Si32 Bi1
  • Reduced Formula: Mg64Si32Bi
  • Formula Anonymous: AB32C64
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -285.41184975
  • Final energy per atom: -2.942390203608247
  • 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.