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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202996

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-1202996
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Nd', 'Ge', 'Rh']
  • Chemical System: Ge-Nd-Rh
  • Density: 7.834998342505825
  • Atomic Density: 0.05275821213242744
  • Unit Cell Volume: 758.1758058744811
  • Molar Volume: 11.4146035595064
  • Full Formula: Nd6 Ge26 Rh8
  • Reduced Formula: Nd3Ge13Rh4
  • Formula Anonymous: A3B4C13
  • Spacegroup Number: 223
  • Spacegroup Symbol: Pm-3n
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -229.41497247
  • Final energy per atom: -5.73537431175
  • 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.