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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195726

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-1195726
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['Na', 'Li', 'B', 'H', 'N']
  • Chemical System: B-H-Li-N-Na
  • Density: 1.0150878036162294
  • Atomic Density: 0.1091052541843807
  • Unit Cell Volume: 586.5895320847171
  • Molar Volume: 5.5195698914948474
  • Full Formula: Na4 Li4 B8 H40 N8
  • Reduced Formula: NaLiB2(H5N)2
  • Formula Anonymous: ABC2D2E10
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -295.88312284
  • Final energy per atom: -4.623173794375
  • 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.