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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204556

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-1204556
  • 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: 62
  • Number of elements: 5
  • Element list: ['Na', 'Mg', 'B', 'H', 'N']
  • Chemical System: B-H-Mg-N-Na
  • Density: 1.06987647638506
  • Atomic Density: 0.10528016015030311
  • Unit Cell Volume: 588.9048792430194
  • Molar Volume: 5.720109801697202
  • Full Formula: Na4 Mg2 B8 H40 N8
  • Reduced Formula: Na2MgB4(H5N)4
  • Formula Anonymous: AB2C4D4E20
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -290.52238982999995
  • Final energy per atom: -4.685844997258064
  • 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.