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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220629

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-1220629
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 70
  • Number of elements: 3
  • Element list: ['Nd', 'Ga', 'Se']
  • Chemical System: Ga-Nd-Se
  • Density: 6.003973945628817
  • Atomic Density: 0.03829062525656347
  • Unit Cell Volume: 1828.1237125528833
  • Molar Volume: 15.727454748124634
  • Full Formula: Nd18 Ga10 Se42
  • Reduced Formula: Nd9Ga5Se21
  • Formula Anonymous: A5B9C21
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -380.83754957
  • Final energy per atom: -5.440536422428572
  • 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.