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  1. Third-Parties
  2. MatprojStructure
  3. mp-36592

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-36592
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Nd', 'Ag', 'Se']
  • Chemical System: Ag-Nd-Se
  • Density: 6.78374330568749
  • Atomic Density: 0.03915344778687247
  • Unit Cell Volume: 357.5674887230232
  • Molar Volume: 15.380869630641131
  • Full Formula: Nd5 Ag1 Se8
  • Reduced Formula: Nd5AgSe8
  • Formula Anonymous: AB5C8
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -81.93006170999999
  • Final energy per atom: -5.852147264999999
  • 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.