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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215378

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-1215378
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 3
  • Element list: ['Zr', 'Ni', 'As']
  • Chemical System: As-Ni-Zr
  • Density: 7.241246720060075
  • Atomic Density: 0.05736113291785235
  • Unit Cell Volume: 261.5011112399349
  • Molar Volume: 10.498643338555375
  • Full Formula: Zr4 Ni3 As8
  • Reduced Formula: Zr4Ni3As8
  • Formula Anonymous: A3B4C8
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -100.19342895
  • Final energy per atom: -6.67956193
  • 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.