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  1. Third-Parties
  2. MatprojStructure
  3. mp-1327088

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-1327088
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Mg', 'Si', 'Mo', 'O']
  • Chemical System: Mg-Mo-O-Si
  • Density: 4.092804806839361
  • Atomic Density: 0.09111064161847329
  • Unit Cell Volume: 878.0533050683672
  • Molar Volume: 6.6097007473811615
  • Full Formula: Mg12 Si12 Mo8 O48
  • Reduced Formula: Mg3Si3(MoO6)2
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -632.22226403
  • Final energy per atom: -7.902778300375
  • 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.