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  1. Third-Parties
  2. MatprojStructure
  3. mp-561268

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-561268
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['As', 'Pb', 'Cl', 'O']
  • Chemical System: As-Cl-O-Pb
  • Density: 5.591165646320911
  • Atomic Density: 0.0524321299237779
  • Unit Cell Volume: 915.4691993207025
  • Molar Volume: 11.48559245782035
  • Full Formula: As12 Pb8 Cl4 O24
  • Reduced Formula: As3Pb2ClO6
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -290.96506591
  • Final energy per atom: -6.0617722064583335
  • 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.