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  1. Third-Parties
  2. MatprojStructure
  3. mp-1025248

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-1025248
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Tl', 'Pd', 'Se']
  • Chemical System: Pd-Se-Tl
  • Density: 11.13972897938768
  • Atomic Density: 0.05758770864352534
  • Unit Cell Volume: 121.55371632045338
  • Molar Volume: 10.457336994041137
  • Full Formula: Tl1 Pd5 Se1
  • Reduced Formula: TlPd5Se
  • Formula Anonymous: ABC5
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -33.86715216
  • Final energy per atom: -4.838164594285715
  • 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.