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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196264

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-1196264
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Zr', 'Mn', 'P']
  • Chemical System: Mn-P-Zr
  • Density: 6.634874783608353
  • Atomic Density: 0.072629722939754
  • Unit Cell Volume: 495.6648399975561
  • Molar Volume: 8.291565100689336
  • Full Formula: Zr8 Mn16 P12
  • Reduced Formula: Zr2Mn4P3
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -311.26222618
  • Final energy per atom: -8.646172949444445
  • 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.