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  1. Third-Parties
  2. MatprojStructure
  3. mp-643370

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-643370
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Ba', 'Mg', 'H']
  • Chemical System: Ba-H-Mg
  • Density: 3.9129512749162467
  • Atomic Density: 0.0695326142258391
  • Unit Cell Volume: 129.43566267720593
  • Molar Volume: 8.66088644451125
  • Full Formula: Ba2 Mg1 H6
  • Reduced Formula: Ba2MgH6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -30.751657190000003
  • Final energy per atom: -3.4168507988888894
  • 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.