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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224669

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-1224669
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 39
  • Number of elements: 3
  • Element list: ['K', 'Tl', 'Pd']
  • Chemical System: K-Pd-Tl
  • Density: 5.380208671753272
  • Atomic Density: 0.024168167036982893
  • Unit Cell Volume: 1613.6929184708533
  • Molar Volume: 24.91765614986329
  • Full Formula: K16 Tl22 Pd1
  • Reduced Formula: K16Tl22Pd
  • Formula Anonymous: AB16C22
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -80.5140618
  • Final energy per atom: -2.064463123076923
  • 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.