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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209921

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-1209921
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Nd', 'Si', 'Ni']
  • Chemical System: Nd-Ni-Si
  • Density: 6.276378612416647
  • Atomic Density: 0.062475626492212125
  • Unit Cell Volume: 320.1248410449008
  • Molar Volume: 9.639184267725089
  • Full Formula: Nd4 Si10 Ni6
  • Reduced Formula: Nd2Si5Ni3
  • Formula Anonymous: A2B3C5
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -122.68800797
  • Final energy per atom: -6.1344003985
  • 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.