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  1. Third-Parties
  2. MatprojStructure
  3. mp-28227

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-28227
  • 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: 76
  • Number of elements: 2
  • Element list: ['Ni', 'As']
  • Chemical System: As-Ni
  • Density: 7.960881335882628
  • Atomic Density: 0.0731637964317823
  • Unit Cell Volume: 1038.7651230053675
  • Molar Volume: 8.231039193838207
  • Full Formula: Ni44 As32
  • Reduced Formula: Ni11As8
  • Formula Anonymous: A8B11
  • Spacegroup Number: 92
  • Spacegroup Symbol: P4_12_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -426.8018845700001
  • Final energy per atom: -5.6158142706578955
  • 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.