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  1. Third-Parties
  2. MatprojStructure
  3. mp-31278

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-31278
  • 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: 30
  • Number of elements: 3
  • Element list: ['Ca', 'Bi', 'Pd']
  • Chemical System: Bi-Ca-Pd
  • Density: 9.19345141803439
  • Atomic Density: 0.0374461134848919
  • Unit Cell Volume: 801.1512332809617
  • Molar Volume: 16.082151656218493
  • Full Formula: Ca6 Bi16 Pd8
  • Reduced Formula: Ca3(Bi2Pd)4
  • Formula Anonymous: A3B4C8
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -131.42617621
  • Final energy per atom: -4.380872540333333
  • 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.