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  1. Third-Parties
  2. MatprojStructure
  3. mp-19792

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-19792
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Zr', 'Fe', 'Si']
  • Chemical System: Fe-Si-Zr
  • Density: 6.9034044115694435
  • Atomic Density: 0.07848773831253483
  • Unit Cell Volume: 178.37181069293393
  • Molar Volume: 7.672715368635152
  • Full Formula: Zr2 Fe8 Si4
  • Reduced Formula: Zr(Fe2Si)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -113.28450411
  • Final energy per atom: -8.091750293571428
  • 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.