Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1225326

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-1225326
  • 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: 40
  • Number of elements: 5
  • Element list: ['Eu', 'Y', 'Al', 'B', 'O']
  • Chemical System: Al-B-Eu-O-Y
  • Density: 3.9026961613604088
  • Atomic Density: 0.10765783796494154
  • Unit Cell Volume: 371.54749487934066
  • Molar Volume: 5.593778282971922
  • Full Formula: Eu1 Y1 Al6 B8 O24
  • Reduced Formula: EuYAl6(BO3)8
  • Formula Anonymous: ABC6D8E24
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -339.1064421
  • Final energy per atom: -8.4776610525
  • 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.