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  1. Third-Parties
  2. MatprojStructure
  3. mp-558938

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-558938
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 5
  • Element list: ['Zn', 'Si', 'Te', 'Pb', 'O']
  • Chemical System: O-Pb-Si-Te-Zn
  • Density: 5.9036826212989
  • Atomic Density: 0.07704089108780371
  • Unit Cell Volume: 882.6481500908423
  • Molar Volume: 7.816810884412733
  • Full Formula: Zn16 Si4 Te4 Pb4 O40
  • Reduced Formula: Zn4SiTePbO10
  • Formula Anonymous: ABCD4E10
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -402.64647366
  • Final energy per atom: -5.921271671470588
  • 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.