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  1. Third-Parties
  2. MatprojStructure
  3. mp-1190290

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-1190290
  • 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: 20
  • Number of elements: 3
  • Element list: ['B', 'H', 'N']
  • Chemical System: B-H-N
  • Density: 0.7459445203592099
  • Atomic Density: 0.1366184984105289
  • Unit Cell Volume: 146.3930597443797
  • Molar Volume: 4.407998060338721
  • Full Formula: B2 H16 N2
  • Reduced Formula: BH8N
  • Formula Anonymous: ABC8
  • Spacegroup Number: 28
  • Spacegroup Symbol: Pma2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -88.66992506
  • Final energy per atom: -4.4334962529999995
  • 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.