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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197547

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-1197547
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 2
  • Element list: ['Li', 'Pd']
  • Chemical System: Li-Pd
  • Density: 2.9352044734686435
  • Atomic Density: 0.06339208101051336
  • Unit Cell Volume: 599.443958839241
  • Molar Volume: 9.499831310161989
  • Full Formula: Li30 Pd8
  • Reduced Formula: Li15Pd4
  • Formula Anonymous: A4B15
  • Spacegroup Number: 220
  • Spacegroup Symbol: I-43d
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -108.95785875
  • Final energy per atom: -2.867312072368421
  • 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.