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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202830

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-1202830
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['Mg', 'B', 'H']
  • Chemical System: B-H-Mg
  • Density: 0.7497779872967872
  • Atomic Density: 0.09199384332272105
  • Unit Cell Volume: 478.2928771183613
  • Molar Volume: 6.546243251163988
  • Full Formula: Mg4 B8 H32
  • Reduced Formula: Mg(BH4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -178.37940918
  • Final energy per atom: -4.054077481363636
  • 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.