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  1. Third-Parties
  2. MatprojStructure
  3. mp-505372

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-505372
  • 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: 42
  • Number of elements: 3
  • Element list: ['Np', 'B', 'H']
  • Chemical System: B-H-Np
  • Density: 2.0486822654032526
  • Atomic Density: 0.087419645509153
  • Unit Cell Volume: 480.44120695504904
  • Molar Volume: 6.888772798065705
  • Full Formula: Np2 B8 H32
  • Reduced Formula: Np(BH4)4
  • Formula Anonymous: AB4C16
  • Spacegroup Number: 137
  • Spacegroup Symbol: P4_2/nmc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -198.70835377
  • Final energy per atom: -4.7311512802380955
  • 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.