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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221388

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-1221388
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['Na', 'B', 'H', 'N']
  • Chemical System: B-H-N-Na
  • Density: 1.198283639892777
  • Atomic Density: 0.07714905067502195
  • Unit Cell Volume: 103.69537836179893
  • Molar Volume: 7.805852058202642
  • Full Formula: Na2 B1 H4 N1
  • Reduced Formula: Na2BH4N
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 111
  • Spacegroup Symbol: P-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -30.84846366
  • Final energy per atom: -3.8560579575
  • 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.