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  1. Third-Parties
  2. MatprojStructure
  3. mp-510580

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-510580
  • 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: 16
  • Number of elements: 4
  • Element list: ['Nd', 'Ni', 'Sn', 'H']
  • Chemical System: H-Nd-Ni-Sn
  • Density: 7.965716420504702
  • Atomic Density: 0.059470223435592266
  • Unit Cell Volume: 269.04220424408527
  • Molar Volume: 10.126312652115942
  • Full Formula: Nd4 Ni4 Sn4 H4
  • Reduced Formula: NdNiSnH
  • Formula Anonymous: ABCD
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -82.05771338
  • Final energy per atom: -5.12860708625
  • 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.