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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228565

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-1228565
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Ba', 'Sr', 'Np']
  • Chemical System: Ba-Np-Sr
  • Density: 4.967461654307603
  • Atomic Density: 0.020831257458590526
  • Unit Cell Volume: 384.0382663361932
  • Molar Volume: 28.909156213786563
  • Full Formula: Ba3 Sr3 Np2
  • Reduced Formula: Ba3Sr3Np2
  • Formula Anonymous: A2B3C3
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -31.40658986
  • Final energy per atom: -3.9258237325
  • 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.