Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-531864

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-531864
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 67
  • Number of elements: 3
  • Element list: ['Al', 'Zn', 'O']
  • Chemical System: Al-O-Zn
  • Density: 3.7931722388246136
  • Atomic Density: 0.10314890719779145
  • Unit Cell Volume: 649.5463870647246
  • Molar Volume: 5.8382981687361415
  • Full Formula: Al24 Zn3 O40
  • Reduced Formula: Al24Zn3O40
  • Formula Anonymous: A3B24C40
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -505.61508858
  • Final energy per atom: -7.546493859402985
  • 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.