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  1. Third-Parties
  2. MatprojStructure
  3. mp-973930

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-973930
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Np', 'Be', 'O']
  • Chemical System: Be-Np-O
  • Density: 10.732229781422904
  • Atomic Density: 0.1099127826627698
  • Unit Cell Volume: 45.490614274963896
  • Molar Volume: 5.479017648453958
  • Full Formula: Np1 Be1 O3
  • Reduced Formula: NpBeO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -46.37831095
  • Final energy per atom: -9.27566219
  • 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.