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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213537

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-1213537
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 107
  • Number of elements: 3
  • Element list: ['Nd', 'Ni', 'P']
  • Chemical System: Nd-Ni-P
  • Density: 7.223015589240849
  • Atomic Density: 0.0620227622286501
  • Unit Cell Volume: 1725.1730841257763
  • Molar Volume: 9.709565558849295
  • Full Formula: Nd25 Ni49 P33
  • Reduced Formula: Nd25Ni49P33
  • Formula Anonymous: A25B33C49
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -684.29845782
  • Final energy per atom: -6.395312689906541
  • 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.