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  1. Third-Parties
  2. MatprojStructure
  3. mp-1092251

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-1092251
  • 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: 9
  • Number of elements: 3
  • Element list: ['Nd', 'Cu', 'Ge']
  • Chemical System: Cu-Ge-Nd
  • Density: 6.9649093039869765
  • Atomic Density: 0.04791310470174551
  • Unit Cell Volume: 187.84005035833388
  • Molar Volume: 12.568880262481947
  • Full Formula: Nd2 Cu1 Ge6
  • Reduced Formula: Nd2CuGe6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -45.33041688
  • Final energy per atom: -5.036712986666667
  • 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.