Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1045637

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-1045637
  • 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: 20
  • Number of elements: 4
  • Element list: ['Al', 'Cu', 'Bi', 'O']
  • Chemical System: Al-Bi-Cu-O
  • Density: 7.4857999308060075
  • Atomic Density: 0.07238749503809129
  • Unit Cell Volume: 276.29081500162044
  • Molar Volume: 8.319310893174391
  • Full Formula: Al1 Cu3 Bi4 O12
  • Reduced Formula: AlCu3(BiO3)4
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 204
  • Spacegroup Symbol: Im-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -114.80856386
  • Final energy per atom: -5.7404281930000005
  • 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.