Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-30526

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-30526
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 138
  • Number of elements: 2
  • Element list: ['Mn', 'Al']
  • Chemical System: Al-Mn
  • Density: 3.551718897050444
  • Atomic Density: 0.06716888680758103
  • Unit Cell Volume: 2054.5226601019776
  • Molar Volume: 8.965670038944744
  • Full Formula: Mn24 Al114
  • Reduced Formula: Mn4Al19
  • Formula Anonymous: A4B19
  • Spacegroup Number: 200
  • Spacegroup Symbol: Pm-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -672.51708066
  • Final energy per atom: -4.873312178695652
  • 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.