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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228121

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-1228121
  • 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: 36
  • Number of elements: 3
  • Element list: ['Ba', 'Mg', 'Ge']
  • Chemical System: Ba-Ge-Mg
  • Density: 4.020799119350925
  • Atomic Density: 0.042142646182044545
  • Unit Cell Volume: 854.2415643405491
  • Molar Volume: 14.28989706528162
  • Full Formula: Ba5 Mg18 Ge13
  • Reduced Formula: Ba5Mg18Ge13
  • Formula Anonymous: A5B13C18
  • Spacegroup Number: 157
  • Spacegroup Symbol: P31m
  • Crystal System: trigonal
  • Pointgroup: 31m

Thermodynamics:

  • Final energy: -113.12352921
  • Final energy per atom: -3.1423202558333334
  • 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.