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  1. Third-Parties
  2. MatprojStructure
  3. mp-743656

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-743656
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 118
  • Number of elements: 5
  • Element list: ['Na', 'Mg', 'B', 'H', 'O']
  • Chemical System: B-H-Mg-Na-O
  • Density: 1.952848575524225
  • Atomic Density: 0.10447695137753986
  • Unit Cell Volume: 1129.4357123189113
  • Molar Volume: 5.764085456741822
  • Full Formula: Na4 Mg2 B24 H32 O56
  • Reduced Formula: Na2MgB12(H4O7)4
  • Formula Anonymous: AB2C12D16E28
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -739.0482991499999
  • Final energy per atom: -6.263121179237287
  • 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.