Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1219347

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-1219347
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Si', 'Pb', 'Cl', 'O']
  • Chemical System: Cl-O-Pb-Si
  • Density: 7.434229965414481
  • Atomic Density: 0.04804256690298873
  • Unit Cell Volume: 374.66774072141055
  • Molar Volume: 12.535010404752878
  • Full Formula: Si1 Pb7 Cl2 O8
  • Reduced Formula: SiPb7(ClO4)2
  • Formula Anonymous: AB2C7D8
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -104.66961733000002
  • Final energy per atom: -5.814978740555556
  • 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.