Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-980057

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-980057
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 4
  • Element list: ['Sr', 'Al', 'Ge', 'H']
  • Chemical System: Al-Ge-H-Sr
  • Density: 3.993334167002414
  • Atomic Density: 0.05109904291382511
  • Unit Cell Volume: 78.27935264356545
  • Molar Volume: 11.785232005530732
  • Full Formula: Sr1 Al1 Ge1 H1
  • Reduced Formula: SrAlGeH
  • Formula Anonymous: ABCD
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -15.63699106
  • Final energy per atom: -3.909247765
  • 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.