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  1. Third-Parties
  2. MatprojStructure
  3. mp-645340

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-645340
  • 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: 160
  • Number of elements: 3
  • Element list: ['Nd', 'B', 'O']
  • Chemical System: B-Nd-O
  • Density: 4.672046830881717
  • Atomic Density: 0.10318545935732433
  • Unit Cell Volume: 1550.6060737291552
  • Molar Volume: 5.836230024567444
  • Full Formula: Nd16 B48 O96
  • Reduced Formula: Nd(BO2)3
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1379.94853347
  • Final energy per atom: -8.6246783341875
  • 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.