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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219217

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-1219217
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 2
  • Element list: ['Si', 'Pd']
  • Chemical System: Pd-Si
  • Density: 10.003752270016381
  • Atomic Density: 0.06638231015692822
  • Unit Cell Volume: 75.32127140769833
  • Molar Volume: 9.071905972786453
  • Full Formula: Si1 Pd4
  • Reduced Formula: SiPd4
  • Formula Anonymous: AB4
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -27.45912292
  • Final energy per atom: -5.491824584
  • 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.