Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1215910

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-1215910
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 4
  • Element list: ['Y', 'Mg', 'Al', 'Ge']
  • Chemical System: Al-Ge-Mg-Y
  • Density: 4.278958105949562
  • Atomic Density: 0.04513306550494932
  • Unit Cell Volume: 110.7835229905156
  • Molar Volume: 13.343079386751624
  • Full Formula: Y1 Mg1 Al1 Ge2
  • Reduced Formula: YMgAlGe2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -23.46720353
  • Final energy per atom: -4.693440706
  • 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.