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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227397

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-1227397
  • 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: 4
  • Number of elements: 3
  • Element list: ['Bi', 'Pt', 'Pb']
  • Chemical System: Bi-Pb-Pt
  • Density: 14.362909370294906
  • Atomic Density: 0.04290724058281996
  • Unit Cell Volume: 93.22435900484354
  • Molar Volume: 14.035255304698534
  • Full Formula: Bi1 Pt2 Pb1
  • Reduced Formula: BiPt2Pb
  • Formula Anonymous: ABC2
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -20.76134655
  • Final energy per atom: -5.1903366375
  • 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.