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  1. Third-Parties
  2. MatprojStructure
  3. mp-973410

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-973410
  • 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: 24
  • Number of elements: 3
  • Element list: ['Nd', 'Al', 'Cu']
  • Chemical System: Al-Cu-Nd
  • Density: 7.508097179854219
  • Atomic Density: 0.07045375617005907
  • Unit Cell Volume: 340.64897749482014
  • Molar Volume: 8.547650384266163
  • Full Formula: Nd2 Al4 Cu18
  • Reduced Formula: NdAl2Cu9
  • Formula Anonymous: AB2C9
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -103.01277701
  • Final energy per atom: -4.292199042083333
  • 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.