Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1227639

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-1227639
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['Cd', 'P', 'Pb', 'O']
  • Chemical System: Cd-O-P-Pb
  • Density: 6.781050570904506
  • Atomic Density: 0.0665027247693682
  • Unit Cell Volume: 631.553070128423
  • Molar Volume: 9.05547972791313
  • Full Formula: Cd1 P6 Pb9 O26
  • Reduced Formula: CdP6Pb9O26
  • Formula Anonymous: AB6C9D26
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -288.36854155000003
  • Final energy per atom: -6.865917655952382
  • 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.