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  1. Third-Parties
  2. MatprojStructure
  3. mp-27393

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-27393
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Al', 'Pd', 'I']
  • Chemical System: Al-I-Pd
  • Density: 7.73444748792278
  • Atomic Density: 0.045839318053683714
  • Unit Cell Volume: 174.5226661232389
  • Molar Volume: 13.137500765057855
  • Full Formula: Al1 Pd5 I2
  • Reduced Formula: AlPd5I2
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -36.88670479
  • Final energy per atom: -4.61083809875
  • 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.