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  1. Third-Parties
  2. MatprojStructure
  3. mp-1232407

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-1232407
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Li', 'B', 'H', 'N']
  • Chemical System: B-H-Li-N
  • Density: 0.7685545522012727
  • Atomic Density: 0.11404959844596264
  • Unit Cell Volume: 420.86952215568454
  • Molar Volume: 5.280282300032232
  • Full Formula: Li6 B6 H32 N4
  • Reduced Formula: Li3B3(H8N)2
  • Formula Anonymous: A2B3C3D16
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -208.51309196
  • Final energy per atom: -4.344022749166666
  • 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.