Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1200930

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-1200930
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 5
  • Element list: ['Cd', 'Pb', 'Se', 'I', 'O']
  • Chemical System: Cd-I-O-Pb-Se
  • Density: 5.43885420141084
  • Atomic Density: 0.04978154518475906
  • Unit Cell Volume: 924.0372075490175
  • Molar Volume: 12.09713506812504
  • Full Formula: Cd6 Pb4 Se8 I4 O24
  • Reduced Formula: Cd3Pb2Se4(IO6)2
  • Formula Anonymous: A2B2C3D4E12
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -235.71640239
  • Final energy per atom: -5.124269617173914
  • 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.