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  1. Third-Parties
  2. MatprojStructure
  3. mp-559184

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-559184
  • 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: 50
  • Number of elements: 5
  • Element list: ['Zn', 'Si', 'Pb', 'S', 'O']
  • Chemical System: O-Pb-S-Si-Zn
  • Density: 5.8516795011216445
  • Atomic Density: 0.06694813603442429
  • Unit Cell Volume: 746.8467826242442
  • Molar Volume: 8.995232902232642
  • Full Formula: Zn4 Si6 Pb8 S2 O30
  • Reduced Formula: Zn2Si3Pb4SO15
  • Formula Anonymous: AB2C3D4E15
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -340.04179997
  • Final energy per atom: -6.8008359994
  • 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.