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  1. Third-Parties
  2. MatprojStructure
  3. mp-1103414

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-1103414
  • 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: 12
  • Number of elements: 3
  • Element list: ['Zr', 'Si', 'Pd']
  • Chemical System: Pd-Si-Zr
  • Density: 7.48096243502643
  • Atomic Density: 0.0598744189211915
  • Unit Cell Volume: 200.4194815785145
  • Molar Volume: 10.057952742600344
  • Full Formula: Zr4 Si4 Pd4
  • Reduced Formula: ZrSiPd
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -88.40638933999999
  • Final energy per atom: -7.3671991116666655
  • 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.