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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203334

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-1203334
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['B', 'P', 'H', 'N']
  • Chemical System: B-H-N-P
  • Density: 1.069874537359014
  • Atomic Density: 0.09711957678986644
  • Unit Cell Volume: 576.6087729270573
  • Molar Volume: 6.200748560745743
  • Full Formula: B4 P4 H36 N12
  • Reduced Formula: BP(H3N)3
  • Formula Anonymous: ABC3D9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -291.11991454
  • Final energy per atom: -5.1985699025
  • 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.