Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1044336

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-1044336
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 49
  • Number of elements: 5
  • Element list: ['Al', 'Cu', 'Si', 'Sb', 'O']
  • Chemical System: Al-Cu-O-Sb-Si
  • Density: 5.26881025963975
  • Atomic Density: 0.0924509636649342
  • Unit Cell Volume: 530.0107003490895
  • Molar Volume: 6.513875595527343
  • Full Formula: Al4 Cu13 Si2 Sb2 O28
  • Reduced Formula: Al4Cu13Si2(SbO14)2
  • Formula Anonymous: A2B2C4D13E28
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -312.32865571
  • Final energy per atom: -6.3740541981632655
  • 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.