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  1. Third-Parties
  2. MatprojStructure
  3. mp-866665

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-866665
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 5
  • Element list: ['Li', 'Mg', 'B', 'H', 'N']
  • Chemical System: B-H-Li-Mg-N
  • Density: 0.9057673843062117
  • Atomic Density: 0.12415538749270351
  • Unit Cell Volume: 402.72114653855397
  • Molar Volume: 4.850486862967518
  • Full Formula: Li2 Mg2 B6 H36 N4
  • Reduced Formula: LiMgB3(H9N)2
  • Formula Anonymous: ABC2D3E18
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -219.43346337
  • Final energy per atom: -4.3886692674
  • 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.