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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202494

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-1202494
  • 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: 78
  • Number of elements: 5
  • Element list: ['Mg', 'Si', 'Pb', 'C', 'O']
  • Chemical System: C-Mg-O-Pb-Si
  • Density: 4.396520028895623
  • Atomic Density: 0.06974070551761294
  • Unit Cell Volume: 1118.4286052325808
  • Molar Volume: 8.635044218873173
  • Full Formula: Mg9 Si10 Pb8 C3 O48
  • Reduced Formula: Mg9Si10Pb8(CO16)3
  • Formula Anonymous: A3B8C9D10E48
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -552.69905886
  • Final energy per atom: -7.085885370000001
  • 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.