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  1. Third-Parties
  2. MatprojStructure
  3. mp-31310

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-31310
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 3
  • Element list: ['Zr', 'Mn', 'Si']
  • Chemical System: Mn-Si-Zr
  • Density: 5.882737949437705
  • Atomic Density: 0.06957560352983258
  • Unit Cell Volume: 1494.7768287113306
  • Molar Volume: 8.655535064698118
  • Full Formula: Zr24 Mn32 Si48
  • Reduced Formula: Zr3(Mn2Si3)2
  • Formula Anonymous: A3B4C6
  • Spacegroup Number: 135
  • Spacegroup Symbol: P4_2/mbc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -824.03126375
  • Final energy per atom: -7.923377536057692
  • 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.