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  1. Third-Parties
  2. MatprojStructure
  3. mp-505292

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-505292
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 3
  • Element list: ['Nd', 'Cu', 'Ge']
  • Chemical System: Cu-Ge-Nd
  • Density: 7.758353722870052
  • Atomic Density: 0.05257868581261168
  • Unit Cell Volume: 209.21024993290166
  • Molar Volume: 11.453577941188314
  • Full Formula: Nd3 Cu4 Ge4
  • Reduced Formula: Nd3(CuGe)4
  • Formula Anonymous: A3B4C4
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -55.81615654
  • Final energy per atom: -5.074196049090909
  • 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.