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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223492

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-1223492
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 5
  • Element list: ['Na', 'Pb', 'S', 'Cl', 'O']
  • Chemical System: Cl-Na-O-Pb-S
  • Density: 4.310417430698587
  • Atomic Density: 0.06754769803192728
  • Unit Cell Volume: 1243.565694278676
  • Molar Volume: 8.915390065777753
  • Full Formula: Na12 Pb8 S12 Cl4 O48
  • Reduced Formula: Na3Pb2S3ClO12
  • Formula Anonymous: AB2C3D3E12
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -511.6852931000001
  • Final energy per atom: -6.09149158452381
  • 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.