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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197731

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-1197731
  • 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: 52
  • Number of elements: 3
  • Element list: ['Np', 'B', 'O']
  • Chemical System: B-Np-O
  • Density: 3.2055791732085734
  • Atomic Density: 0.08428789018356335
  • Unit Cell Volume: 616.9332259563464
  • Molar Volume: 7.144728319673084
  • Full Formula: Np2 B16 O34
  • Reduced Formula: NpB8O17
  • Formula Anonymous: AB8C17
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -432.05429999000006
  • Final energy per atom: -8.308736538269232
  • 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.