Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1215072

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-1215072
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['Al', 'H', 'Pb', 'C', 'O']
  • Chemical System: Al-C-H-O-Pb
  • Density: 3.435631071346583
  • Atomic Density: 0.07419268044263969
  • Unit Cell Volume: 862.618786896102
  • Molar Volume: 8.116893370169954
  • Full Formula: Al8 H4 Pb4 C8 O40
  • Reduced Formula: Al2HPb(CO5)2
  • Formula Anonymous: ABC2D2E10
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -432.63173732
  • Final energy per atom: -6.759870895625
  • 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.