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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200437

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-1200437
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 5
  • Element list: ['Ca', 'Zn', 'Si', 'Pb', 'O']
  • Chemical System: Ca-O-Pb-Si-Zn
  • Density: 4.371426151121936
  • Atomic Density: 0.07275713547253453
  • Unit Cell Volume: 1154.5259369331493
  • Molar Volume: 8.277044884859889
  • Full Formula: Ca8 Zn12 Si12 Pb4 O48
  • Reduced Formula: Ca2Zn3Si3PbO12
  • Formula Anonymous: AB2C3D3E12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -582.21374832
  • Final energy per atom: -6.931116051428572
  • 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.