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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199958

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-1199958
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 5
  • Element list: ['Na', 'Np', 'H', 'Se', 'O']
  • Chemical System: H-Na-Np-O-Se
  • Density: 4.006728300173872
  • Atomic Density: 0.07142133714686327
  • Unit Cell Volume: 532.0538863877726
  • Molar Volume: 8.431851041400567
  • Full Formula: Na6 Np2 H4 Se4 O22
  • Reduced Formula: Na3NpH2Se2O11
  • Formula Anonymous: AB2C2D3E11
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -243.47202196
  • Final energy per atom: -6.407158472631579
  • 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.