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  1. Third-Parties
  2. MatprojStructure
  3. mp-14650

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-14650
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 2
  • Element list: ['Nd', 'Se']
  • Chemical System: Nd-Se
  • Density: 6.56539176448449
  • Atomic Density: 0.03896453166706582
  • Unit Cell Volume: 1488.5332254364967
  • Molar Volume: 15.455442430198959
  • Full Formula: Nd20 Se38
  • Reduced Formula: Nd10Se19
  • Formula Anonymous: A10B19
  • Spacegroup Number: 86
  • Spacegroup Symbol: P4_2/n
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -343.57945141
  • Final energy per atom: -5.923783644999999
  • 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.